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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/rRNA_5.8S-6b76a9d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rRNA_5.8S-6b76a9d5/inputs/seq.fa: 1
curr_seq: _CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACUCUUAGCGGUGGAUCACUCGGCUCGUGCGUCGAUGAAGAACGCAGCUAGCUGCGAGAAUUAAUGUGAAUUGCAGGACACAUUGAUCAUCGACACUUCGAACGCACUUGCGGCCCCGGGUUCCUCCCGGGGCUACGCCUGUCUGAGCGUCGCUU
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 157 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: 790
n_atoms_counter: 790
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -627.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906634 (E_RNA)
where:
Base-Base interactions energy: -16.729
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -611.177221
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -131.860
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -833.702626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.702626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.702626 (E_RNA)
where:
Base-Base interactions energy: -340.146
where: short stacking energy: -339.774
Base-Backbone interact. energy: 1.154
local terms energy: -494.710954
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -104.691
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -754.328247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.328247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.328247 (E_RNA)
where:
Base-Base interactions energy: -301.510
where: short stacking energy: -298.660
Base-Backbone interact. energy: 0.468
local terms energy: -453.285643
where:
bonds (distance) C4'-P energy: -101.804
bonds (distance) P-C4' energy: -105.181
flat angles C4'-P-C4' energy: -97.067
flat angles P-C4'-P energy: -68.686
tors. eta vs tors. theta energy: -80.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -736.345617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.345617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.345617 (E_RNA)
where:
Base-Base interactions energy: -305.116
where: short stacking energy: -289.792
Base-Backbone interact. energy: -0.563
local terms energy: -430.666491
where:
bonds (distance) C4'-P energy: -91.902
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -99.901
flat angles P-C4'-P energy: -71.547
tors. eta vs tors. theta energy: -67.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -646.685867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.685867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.685867 (E_RNA)
where:
Base-Base interactions energy: -272.868
where: short stacking energy: -243.370
Base-Backbone interact. energy: 1.598
local terms energy: -375.415965
where:
bonds (distance) C4'-P energy: -80.167
bonds (distance) P-C4' energy: -94.320
flat angles C4'-P-C4' energy: -103.170
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -38.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -629.114710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.114710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.114710 (E_RNA)
where:
Base-Base interactions energy: -18.278
where: short stacking energy: -18.278
Base-Backbone interact. energy: -0.000
local terms energy: -610.837064
where:
bonds (distance) C4'-P energy: -152.422
bonds (distance) P-C4' energy: -141.348
flat angles C4'-P-C4' energy: -114.976
flat angles P-C4'-P energy: -131.786
tors. eta vs tors. theta energy: -70.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -632.373851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.373851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.373851 (E_RNA)
where:
Base-Base interactions energy: -68.506
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.000
local terms energy: -563.867398
where:
bonds (distance) C4'-P energy: -127.486
bonds (distance) P-C4' energy: -123.029
flat angles C4'-P-C4' energy: -115.611
flat angles P-C4'-P energy: -121.951
tors. eta vs tors. theta energy: -75.791
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -629.294928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.294928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.294928 (E_RNA)
where:
Base-Base interactions energy: -22.651
where: short stacking energy: -22.651
Base-Backbone interact. energy: -0.000
local terms energy: -606.643789
where:
bonds (distance) C4'-P energy: -151.859
bonds (distance) P-C4' energy: -137.766
flat angles C4'-P-C4' energy: -114.622
flat angles P-C4'-P energy: -130.805
tors. eta vs tors. theta energy: -71.592
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -630.233864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.233864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.233864 (E_RNA)
where:
Base-Base interactions energy: -23.449
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.000
local terms energy: -606.784562
where:
bonds (distance) C4'-P energy: -151.859
bonds (distance) P-C4' energy: -137.773
flat angles C4'-P-C4' energy: -114.817
flat angles P-C4'-P energy: -130.983
tors. eta vs tors. theta energy: -71.352
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -635.296221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.296221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.296221 (E_RNA)
where:
Base-Base interactions energy: -93.471
where: short stacking energy: -93.471
Base-Backbone interact. energy: -0.000
local terms energy: -541.824883
where:
bonds (distance) C4'-P energy: -127.193
bonds (distance) P-C4' energy: -109.851
flat angles C4'-P-C4' energy: -109.422
flat angles P-C4'-P energy: -119.670
tors. eta vs tors. theta energy: -75.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -631.356255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.356255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.356255 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.000
local terms energy: -606.665879
where:
bonds (distance) C4'-P energy: -151.859
bonds (distance) P-C4' energy: -137.776
flat angles C4'-P-C4' energy: -114.945
flat angles P-C4'-P energy: -130.983
tors. eta vs tors. theta energy: -71.103
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -854.971875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.971875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.971875 (E_RNA)
where:
Base-Base interactions energy: -393.329
where: short stacking energy: -373.458
Base-Backbone interact. energy: -0.289
local terms energy: -461.353956
where:
bonds (distance) C4'-P energy: -99.019
bonds (distance) P-C4' energy: -104.417
flat angles C4'-P-C4' energy: -97.219
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: -93.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -811.984470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.984470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.984470 (E_RNA)
where:
Base-Base interactions energy: -379.555
where: short stacking energy: -333.226
Base-Backbone interact. energy: 0.466
local terms energy: -432.894822
where:
bonds (distance) C4'-P energy: -78.788
bonds (distance) P-C4' energy: -108.012
flat angles C4'-P-C4' energy: -92.460
flat angles P-C4'-P energy: -61.423
tors. eta vs tors. theta energy: -92.212
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -723.409525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.409525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.409525 (E_RNA)
where:
Base-Base interactions energy: -315.654
where: short stacking energy: -307.366
Base-Backbone interact. energy: -1.594
local terms energy: -406.161607
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -64.046
tors. eta vs tors. theta energy: -67.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -775.195679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.195679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.195679 (E_RNA)
where:
Base-Base interactions energy: -390.540
where: short stacking energy: -259.210
Base-Backbone interact. energy: -0.050
local terms energy: -384.604993
where:
bonds (distance) C4'-P energy: -93.268
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -86.767
flat angles P-C4'-P energy: -62.384
tors. eta vs tors. theta energy: -50.806
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -642.091805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.091805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.091805 (E_RNA)
where:
Base-Base interactions energy: -299.654
where: short stacking energy: -229.464
Base-Backbone interact. energy: -0.888
local terms energy: -341.549577
where:
bonds (distance) C4'-P energy: -85.729
bonds (distance) P-C4' energy: -87.617
flat angles C4'-P-C4' energy: -81.981
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -36.042
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -563.819583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.819583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.819583 (E_RNA)
where:
Base-Base interactions energy: -222.398
where: short stacking energy: -181.616
Base-Backbone interact. energy: 1.675
local terms energy: -343.096411
where:
bonds (distance) C4'-P energy: -92.914
bonds (distance) P-C4' energy: -96.834
flat angles C4'-P-C4' energy: -75.850
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -28.849
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -559.242895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.242895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.242895 (E_RNA)
where:
Base-Base interactions energy: -209.766
where: short stacking energy: -191.587
Base-Backbone interact. energy: 1.603
local terms energy: -351.079775
where:
bonds (distance) C4'-P energy: -92.762
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -94.688
flat angles P-C4'-P energy: -48.286
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -493.477886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.477886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.477886 (E_RNA)
where:
Base-Base interactions energy: -172.696
where: short stacking energy: -168.254
Base-Backbone interact. energy: 0.214
local terms energy: -320.996083
where:
bonds (distance) C4'-P energy: -73.775
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -85.805
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -12.182
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -434.697586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.697586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.697586 (E_RNA)
where:
Base-Base interactions energy: -142.291
where: short stacking energy: -130.036
Base-Backbone interact. energy: 0.204
local terms energy: -292.610581
where:
bonds (distance) C4'-P energy: -85.210
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -83.444
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: 14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -406.324662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.324662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.324662 (E_RNA)
where:
Base-Base interactions energy: -124.979
where: short stacking energy: -101.592
Base-Backbone interact. energy: 0.107
local terms energy: -281.452488
where:
bonds (distance) C4'-P energy: -89.306
bonds (distance) P-C4' energy: -81.712
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: 5.550
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -913.977346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.977346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.977346 (E_RNA)
where:
Base-Base interactions energy: -439.361
where: short stacking energy: -414.727
Base-Backbone interact. energy: -1.087
local terms energy: -473.528782
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -94.074
flat angles C4'-P-C4' energy: -109.681
flat angles P-C4'-P energy: -73.316
tors. eta vs tors. theta energy: -102.827
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -824.147233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.147233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.147233 (E_RNA)
where:
Base-Base interactions energy: -383.807
where: short stacking energy: -331.305
Base-Backbone interact. energy: -1.361
local terms energy: -438.979891
where:
bonds (distance) C4'-P energy: -91.232
bonds (distance) P-C4' energy: -95.716
flat angles C4'-P-C4' energy: -100.402
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: -88.041
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -881.426066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.426066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.426066 (E_RNA)
where:
Base-Base interactions energy: -458.064
where: short stacking energy: -323.232
Base-Backbone interact. energy: -0.061
local terms energy: -423.301376
where:
bonds (distance) C4'-P energy: -78.721
bonds (distance) P-C4' energy: -99.609
flat angles C4'-P-C4' energy: -89.415
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -85.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -671.569710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.569710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.569710 (E_RNA)
where:
Base-Base interactions energy: -295.307
where: short stacking energy: -236.485
Base-Backbone interact. energy: -4.323
local terms energy: -371.939367
where:
bonds (distance) C4'-P energy: -86.653
bonds (distance) P-C4' energy: -99.536
flat angles C4'-P-C4' energy: -94.464
flat angles P-C4'-P energy: -55.199
tors. eta vs tors. theta energy: -36.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -731.131798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.131798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.131798 (E_RNA)
where:
Base-Base interactions energy: -374.866
where: short stacking energy: -259.905
Base-Backbone interact. energy: -1.023
local terms energy: -355.242522
where:
bonds (distance) C4'-P energy: -71.077
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -82.162
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -47.458
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -628.093118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.093118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.093118 (E_RNA)
where:
Base-Base interactions energy: -306.052
where: short stacking energy: -217.003
Base-Backbone interact. energy: -2.335
local terms energy: -319.706060
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -81.526
flat angles C4'-P-C4' energy: -85.106
flat angles P-C4'-P energy: -54.836
tors. eta vs tors. theta energy: -25.063
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: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -569.308706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.308706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.308706 (E_RNA)
where:
Base-Base interactions energy: -277.500
where: short stacking energy: -198.491
Base-Backbone interact. energy: -2.090
local terms energy: -289.718932
where:
bonds (distance) C4'-P energy: -80.151
bonds (distance) P-C4' energy: -87.135
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -443.295221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.295221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.295221 (E_RNA)
where:
Base-Base interactions energy: -178.547
where: short stacking energy: -149.401
Base-Backbone interact. energy: 2.528
local terms energy: -267.276170
where:
bonds (distance) C4'-P energy: -73.821
bonds (distance) P-C4' energy: -75.049
flat angles C4'-P-C4' energy: -76.017
flat angles P-C4'-P energy: -44.996
tors. eta vs tors. theta energy: 2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -461.803847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.803847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.803847 (E_RNA)
where:
Base-Base interactions energy: -166.172
where: short stacking energy: -141.194
Base-Backbone interact. energy: -1.665
local terms energy: -293.966357
where:
bonds (distance) C4'-P energy: -80.683
bonds (distance) P-C4' energy: -89.364
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -394.406427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.406427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.406427 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -115.617
Base-Backbone interact. energy: 0.400
local terms energy: -256.271368
where:
bonds (distance) C4'-P energy: -80.856
bonds (distance) P-C4' energy: -80.599
flat angles C4'-P-C4' energy: -75.748
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: 17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -896.614158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.614158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.614158 (E_RNA)
where:
Base-Base interactions energy: -416.141
where: short stacking energy: -392.040
Base-Backbone interact. energy: -0.396
local terms energy: -480.077228
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -104.144
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -62.491
tors. eta vs tors. theta energy: -95.015
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: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -956.285683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.285683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.285683 (E_RNA)
where:
Base-Base interactions energy: -515.389
where: short stacking energy: -339.818
Base-Backbone interact. energy: -0.101
local terms energy: -440.796234
where:
bonds (distance) C4'-P energy: -99.450
bonds (distance) P-C4' energy: -95.779
flat angles C4'-P-C4' energy: -101.548
flat angles P-C4'-P energy: -64.338
tors. eta vs tors. theta energy: -79.682
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -781.044248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.044248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.044248 (E_RNA)
where:
Base-Base interactions energy: -381.556
where: short stacking energy: -293.880
Base-Backbone interact. energy: -0.409
local terms energy: -399.079526
where:
bonds (distance) C4'-P energy: -86.313
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -90.534
flat angles P-C4'-P energy: -53.560
tors. eta vs tors. theta energy: -64.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -814.465909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.465909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.465909 (E_RNA)
where:
Base-Base interactions energy: -418.889
where: short stacking energy: -279.327
Base-Backbone interact. energy: 1.902
local terms energy: -397.478988
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -108.022
flat angles C4'-P-C4' energy: -71.673
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -61.551
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -670.238861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.238861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.238861 (E_RNA)
where:
Base-Base interactions energy: -324.155
where: short stacking energy: -208.642
Base-Backbone interact. energy: -3.229
local terms energy: -342.854808
where:
bonds (distance) C4'-P energy: -91.497
bonds (distance) P-C4' energy: -96.580
flat angles C4'-P-C4' energy: -71.489
flat angles P-C4'-P energy: -50.657
tors. eta vs tors. theta energy: -32.631
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: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -595.673942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.673942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.673942 (E_RNA)
where:
Base-Base interactions energy: -255.088
where: short stacking energy: -183.240
Base-Backbone interact. energy: -0.100
local terms energy: -340.486421
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -101.886
flat angles C4'-P-C4' energy: -82.058
flat angles P-C4'-P energy: -57.338
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -562.977901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.977901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.977901 (E_RNA)
where:
Base-Base interactions energy: -241.340
where: short stacking energy: -186.873
Base-Backbone interact. energy: 2.099
local terms energy: -323.737006
where:
bonds (distance) C4'-P energy: -90.418
bonds (distance) P-C4' energy: -83.638
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -52.880
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -506.473843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.473843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.473843 (E_RNA)
where:
Base-Base interactions energy: -211.773
where: short stacking energy: -182.392
Base-Backbone interact. energy: 1.634
local terms energy: -296.334516
where:
bonds (distance) C4'-P energy: -85.316
bonds (distance) P-C4' energy: -92.897
flat angles C4'-P-C4' energy: -73.175
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -487.298158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.298158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.298158 (E_RNA)
where:
Base-Base interactions energy: -221.714
where: short stacking energy: -132.457
Base-Backbone interact. energy: 0.045
local terms energy: -265.629232
where:
bonds (distance) C4'-P energy: -71.765
bonds (distance) P-C4' energy: -81.832
flat angles C4'-P-C4' energy: -87.675
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: 5.311
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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -411.832822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.832822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.832822 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -115.117
Base-Backbone interact. energy: 2.093
local terms energy: -268.126910
where:
bonds (distance) C4'-P energy: -62.132
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -69.989
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: 6.312
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: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1028.356485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.356485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.356485 (E_RNA)
where:
Base-Base interactions energy: -583.529
where: short stacking energy: -370.504
Base-Backbone interact. energy: 0.090
local terms energy: -444.916761
where:
bonds (distance) C4'-P energy: -87.716
bonds (distance) P-C4' energy: -103.029
flat angles C4'-P-C4' energy: -109.283
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -94.502
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -848.399337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.399337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.399337 (E_RNA)
where:
Base-Base interactions energy: -412.933
where: short stacking energy: -310.802
Base-Backbone interact. energy: -2.090
local terms energy: -433.376274
where:
bonds (distance) C4'-P energy: -97.742
bonds (distance) P-C4' energy: -99.047
flat angles C4'-P-C4' energy: -95.003
flat angles P-C4'-P energy: -73.273
tors. eta vs tors. theta energy: -68.312
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -925.776724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.776724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.776724 (E_RNA)
where:
Base-Base interactions energy: -509.046
where: short stacking energy: -298.365
Base-Backbone interact. energy: 3.001
local terms energy: -419.731893
where:
bonds (distance) C4'-P energy: -97.729
bonds (distance) P-C4' energy: -99.119
flat angles C4'-P-C4' energy: -91.753
flat angles P-C4'-P energy: -70.521
tors. eta vs tors. theta energy: -60.610
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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -712.669284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.669284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.669284 (E_RNA)
where:
Base-Base interactions energy: -339.196
where: short stacking energy: -259.997
Base-Backbone interact. energy: -0.342
local terms energy: -373.131731
where:
bonds (distance) C4'-P energy: -94.523
bonds (distance) P-C4' energy: -91.300
flat angles C4'-P-C4' energy: -88.778
flat angles P-C4'-P energy: -53.447
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -689.728089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.728089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.728089 (E_RNA)
where:
Base-Base interactions energy: -348.080
where: short stacking energy: -241.386
Base-Backbone interact. energy: 0.616
local terms energy: -342.264338
where:
bonds (distance) C4'-P energy: -84.845
bonds (distance) P-C4' energy: -83.470
flat angles C4'-P-C4' energy: -88.623
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -40.058
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: 6
Temperature: 1.150000
Total energy: -585.257550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.257550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.257550 (E_RNA)
where:
Base-Base interactions energy: -247.889
where: short stacking energy: -217.767
Base-Backbone interact. energy: 0.472
local terms energy: -337.840526
where:
bonds (distance) C4'-P energy: -85.328
bonds (distance) P-C4' energy: -82.189
flat angles C4'-P-C4' energy: -75.515
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -36.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -605.193048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.193048 (E_RNA)
where:
Base-Base interactions energy: -278.198
where: short stacking energy: -212.076
Base-Backbone interact. energy: -1.866
local terms energy: -325.129385
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -53.575
tors. eta vs tors. theta energy: -36.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -504.366650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.366650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.366650 (E_RNA)
where:
Base-Base interactions energy: -212.575
where: short stacking energy: -147.352
Base-Backbone interact. energy: 1.653
local terms energy: -293.444086
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -95.724
flat angles C4'-P-C4' energy: -64.566
flat angles P-C4'-P energy: -41.426
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -495.644784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.644784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.644784 (E_RNA)
where:
Base-Base interactions energy: -205.067
where: short stacking energy: -145.983
Base-Backbone interact. energy: -2.036
local terms energy: -288.541832
where:
bonds (distance) C4'-P energy: -82.026
bonds (distance) P-C4' energy: -79.702
flat angles C4'-P-C4' energy: -79.930
flat angles P-C4'-P energy: -35.218
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -403.834554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.834554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.834554 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -125.585
Base-Backbone interact. energy: 3.077
local terms energy: -272.192805
where:
bonds (distance) C4'-P energy: -71.536
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1105.652958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.652958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.652958 (E_RNA)
where:
Base-Base interactions energy: -651.824
where: short stacking energy: -383.796
Base-Backbone interact. energy: -0.199
local terms energy: -453.629623
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -101.589
flat angles C4'-P-C4' energy: -102.653
flat angles P-C4'-P energy: -68.423
tors. eta vs tors. theta energy: -89.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1019.238954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.238954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.238954 (E_RNA)
where:
Base-Base interactions energy: -566.951
where: short stacking energy: -358.381
Base-Backbone interact. energy: 0.318
local terms energy: -452.606119
where:
bonds (distance) C4'-P energy: -104.760
bonds (distance) P-C4' energy: -94.707
flat angles C4'-P-C4' energy: -96.964
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -86.405
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -760.003785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.003785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.003785 (E_RNA)
where:
Base-Base interactions energy: -360.785
where: short stacking energy: -291.743
Base-Backbone interact. energy: -1.126
local terms energy: -398.092739
where:
bonds (distance) C4'-P energy: -96.817
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -98.205
flat angles P-C4'-P energy: -57.734
tors. eta vs tors. theta energy: -53.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -786.693433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.693433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.693433 (E_RNA)
where:
Base-Base interactions energy: -408.840
where: short stacking energy: -278.151
Base-Backbone interact. energy: 0.546
local terms energy: -378.399128
where:
bonds (distance) C4'-P energy: -92.741
bonds (distance) P-C4' energy: -78.807
flat angles C4'-P-C4' energy: -101.083
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -55.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -734.792447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.792447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.792447 (E_RNA)
where:
Base-Base interactions energy: -367.032
where: short stacking energy: -245.397
Base-Backbone interact. energy: -1.309
local terms energy: -366.451184
where:
bonds (distance) C4'-P energy: -101.861
bonds (distance) P-C4' energy: -97.822
flat angles C4'-P-C4' energy: -80.358
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -36.745
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -716.119914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.119914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.119914 (E_RNA)
where:
Base-Base interactions energy: -404.771
where: short stacking energy: -228.410
Base-Backbone interact. energy: -3.020
local terms energy: -308.328603
where:
bonds (distance) C4'-P energy: -80.208
bonds (distance) P-C4' energy: -85.006
flat angles C4'-P-C4' energy: -84.943
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -21.997
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: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -511.801327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.801327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.801327 (E_RNA)
where:
Base-Base interactions energy: -219.691
where: short stacking energy: -182.168
Base-Backbone interact. energy: 0.189
local terms energy: -292.299095
where:
bonds (distance) C4'-P energy: -77.092
bonds (distance) P-C4' energy: -82.500
flat angles C4'-P-C4' energy: -72.449
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -30.325
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -542.475018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.475018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.475018 (E_RNA)
where:
Base-Base interactions energy: -241.004
where: short stacking energy: -159.221
Base-Backbone interact. energy: 4.860
local terms energy: -306.330560
where:
bonds (distance) C4'-P energy: -89.466
bonds (distance) P-C4' energy: -99.595
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: 2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -510.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.436924 (E_RNA)
where:
Base-Base interactions energy: -226.047
where: short stacking energy: -137.272
Base-Backbone interact. energy: 2.095
local terms energy: -286.485476
where:
bonds (distance) C4'-P energy: -85.298
bonds (distance) P-C4' energy: -71.321
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -369.017669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.017669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.017669 (E_RNA)
where:
Base-Base interactions energy: -102.747
where: short stacking energy: -82.857
Base-Backbone interact. energy: -1.886
local terms energy: -264.384135
where:
bonds (distance) C4'-P energy: -75.358
bonds (distance) P-C4' energy: -83.447
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -42.324
tors. eta vs tors. theta energy: 10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1175.262201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.262201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.262201 (E_RNA)
where:
Base-Base interactions energy: -707.139
where: short stacking energy: -387.266
Base-Backbone interact. energy: -0.393
local terms energy: -467.729755
where:
bonds (distance) C4'-P energy: -99.210
bonds (distance) P-C4' energy: -100.232
flat angles C4'-P-C4' energy: -109.427
flat angles P-C4'-P energy: -62.659
tors. eta vs tors. theta energy: -96.202
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: 8
Temperature: 0.950000
Total energy: -1045.727171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.727171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.727171 (E_RNA)
where:
Base-Base interactions energy: -613.698
where: short stacking energy: -322.505
Base-Backbone interact. energy: -2.999
local terms energy: -429.030124
where:
bonds (distance) C4'-P energy: -89.442
bonds (distance) P-C4' energy: -95.394
flat angles C4'-P-C4' energy: -104.994
flat angles P-C4'-P energy: -71.526
tors. eta vs tors. theta energy: -67.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -882.210443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.210443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.210443 (E_RNA)
where:
Base-Base interactions energy: -477.475
where: short stacking energy: -301.690
Base-Backbone interact. energy: -3.323
local terms energy: -401.412330
where:
bonds (distance) C4'-P energy: -96.791
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -89.848
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -65.390
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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -716.165576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.165576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.165576 (E_RNA)
where:
Base-Base interactions energy: -369.652
where: short stacking energy: -235.292
Base-Backbone interact. energy: -0.756
local terms energy: -345.758100
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -91.143
flat angles C4'-P-C4' energy: -90.877
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -766.383300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.383300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.383300 (E_RNA)
where:
Base-Base interactions energy: -401.393
where: short stacking energy: -279.564
Base-Backbone interact. energy: 0.805
local terms energy: -365.795306
where:
bonds (distance) C4'-P energy: -82.956
bonds (distance) P-C4' energy: -85.077
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: -58.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -837.406719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.406719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.406719 (E_RNA)
where:
Base-Base interactions energy: -483.056
where: short stacking energy: -254.174
Base-Backbone interact. energy: -0.719
local terms energy: -353.631337
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -97.608
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -44.119
tors. eta vs tors. theta energy: -38.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -511.944499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.944499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.944499 (E_RNA)
where:
Base-Base interactions energy: -205.719
where: short stacking energy: -150.227
Base-Backbone interact. energy: -0.764
local terms energy: -305.461544
where:
bonds (distance) C4'-P energy: -75.001
bonds (distance) P-C4' energy: -87.566
flat angles C4'-P-C4' energy: -67.862
flat angles P-C4'-P energy: -59.953
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -506.052703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.052703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.052703 (E_RNA)
where:
Base-Base interactions energy: -239.890
where: short stacking energy: -170.961
Base-Backbone interact. energy: 2.942
local terms energy: -269.104897
where:
bonds (distance) C4'-P energy: -86.006
bonds (distance) P-C4' energy: -74.567
flat angles C4'-P-C4' energy: -68.448
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -513.083687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.083687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.083687 (E_RNA)
where:
Base-Base interactions energy: -218.197
where: short stacking energy: -144.346
Base-Backbone interact. energy: 1.808
local terms energy: -296.695283
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -81.821
flat angles C4'-P-C4' energy: -81.633
flat angles P-C4'-P energy: -43.978
tors. eta vs tors. theta energy: -7.327
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -384.591148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.591148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.591148 (E_RNA)
where:
Base-Base interactions energy: -148.402
where: short stacking energy: -114.108
Base-Backbone interact. energy: -0.489
local terms energy: -235.700036
where:
bonds (distance) C4'-P energy: -74.234
bonds (distance) P-C4' energy: -88.851
flat angles C4'-P-C4' energy: -77.770
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: 16.564
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1195.158414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.158414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.158414 (E_RNA)
where:
Base-Base interactions energy: -734.619
where: short stacking energy: -396.385
Base-Backbone interact. energy: 2.118
local terms energy: -462.658371
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -104.058
flat angles P-C4'-P energy: -61.830
tors. eta vs tors. theta energy: -96.417
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: 9
Temperature: 0.950000
Total energy: -1095.185926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.185926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.185926 (E_RNA)
where:
Base-Base interactions energy: -670.917
where: short stacking energy: -336.860
Base-Backbone interact. energy: -2.457
local terms energy: -421.812179
where:
bonds (distance) C4'-P energy: -99.312
bonds (distance) P-C4' energy: -90.849
flat angles C4'-P-C4' energy: -101.916
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -70.550
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: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -946.491217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.491217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.491217 (E_RNA)
where:
Base-Base interactions energy: -521.044
where: short stacking energy: -327.557
Base-Backbone interact. energy: -1.404
local terms energy: -424.043108
where:
bonds (distance) C4'-P energy: -91.105
bonds (distance) P-C4' energy: -88.478
flat angles C4'-P-C4' energy: -99.338
flat angles P-C4'-P energy: -69.108
tors. eta vs tors. theta energy: -76.014
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: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -795.483403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.483403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.483403 (E_RNA)
where:
Base-Base interactions energy: -419.839
where: short stacking energy: -249.994
Base-Backbone interact. energy: -3.247
local terms energy: -372.397379
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -94.273
flat angles C4'-P-C4' energy: -88.816
flat angles P-C4'-P energy: -62.689
tors. eta vs tors. theta energy: -37.251
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -819.242508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.242508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.242508 (E_RNA)
where:
Base-Base interactions energy: -465.753
where: short stacking energy: -257.141
Base-Backbone interact. energy: 0.979
local terms energy: -354.468879
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -87.887
flat angles C4'-P-C4' energy: -92.755
flat angles P-C4'-P energy: -60.873
tors. eta vs tors. theta energy: -42.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -947.263703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.263703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.263703 (E_RNA)
where:
Base-Base interactions energy: -583.352
where: short stacking energy: -322.346
Base-Backbone interact. energy: -0.997
local terms energy: -362.915075
where:
bonds (distance) C4'-P energy: -83.916
bonds (distance) P-C4' energy: -78.949
flat angles C4'-P-C4' energy: -84.722
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -68.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -541.773547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.773547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.773547 (E_RNA)
where:
Base-Base interactions energy: -268.277
where: short stacking energy: -155.126
Base-Backbone interact. energy: -1.152
local terms energy: -272.345067
where:
bonds (distance) C4'-P energy: -74.963
bonds (distance) P-C4' energy: -94.514
flat angles C4'-P-C4' energy: -65.145
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -587.649517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.649517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.649517 (E_RNA)
where:
Base-Base interactions energy: -278.669
where: short stacking energy: -190.372
Base-Backbone interact. energy: -1.448
local terms energy: -307.532635
where:
bonds (distance) C4'-P energy: -80.709
bonds (distance) P-C4' energy: -82.670
flat angles C4'-P-C4' energy: -73.925
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -513.821116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.821116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.821116 (E_RNA)
where:
Base-Base interactions energy: -244.927
where: short stacking energy: -147.030
Base-Backbone interact. energy: 6.467
local terms energy: -275.360756
where:
bonds (distance) C4'-P energy: -80.241
bonds (distance) P-C4' energy: -81.403
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: 0.120
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: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -424.232777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.232777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.232777 (E_RNA)
where:
Base-Base interactions energy: -182.035
where: short stacking energy: -137.434
Base-Backbone interact. energy: -2.421
local terms energy: -239.777081
where:
bonds (distance) C4'-P energy: -72.625
bonds (distance) P-C4' energy: -62.723
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: 3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1234.871781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.871781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.871781 (E_RNA)
where:
Base-Base interactions energy: -752.052
where: short stacking energy: -414.116
Base-Backbone interact. energy: -1.373
local terms energy: -481.447157
where:
bonds (distance) C4'-P energy: -99.015
bonds (distance) P-C4' energy: -98.174
flat angles C4'-P-C4' energy: -112.352
flat angles P-C4'-P energy: -64.819
tors. eta vs tors. theta energy: -107.087
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: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1089.911334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.911334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.911334 (E_RNA)
where:
Base-Base interactions energy: -667.647
where: short stacking energy: -365.708
Base-Backbone interact. energy: 4.007
local terms energy: -426.271592
where:
bonds (distance) C4'-P energy: -86.819
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -100.606
flat angles P-C4'-P energy: -65.631
tors. eta vs tors. theta energy: -82.673
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: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1019.628133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.628133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.628133 (E_RNA)
where:
Base-Base interactions energy: -601.908
where: short stacking energy: -358.830
Base-Backbone interact. energy: 1.208
local terms energy: -418.928201
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -105.158
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -82.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -874.074580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.074580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.074580 (E_RNA)
where:
Base-Base interactions energy: -498.762
where: short stacking energy: -276.112
Base-Backbone interact. energy: 3.740
local terms energy: -379.053354
where:
bonds (distance) C4'-P energy: -89.816
bonds (distance) P-C4' energy: -91.199
flat angles C4'-P-C4' energy: -94.295
flat angles P-C4'-P energy: -54.205
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1051.058896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.058896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.058896 (E_RNA)
where:
Base-Base interactions energy: -657.760
where: short stacking energy: -328.813
Base-Backbone interact. energy: 0.767
local terms energy: -394.065371
where:
bonds (distance) C4'-P energy: -80.372
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -98.055
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -69.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -810.642052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.642052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.642052 (E_RNA)
where:
Base-Base interactions energy: -459.943
where: short stacking energy: -257.023
Base-Backbone interact. energy: 0.931
local terms energy: -351.629495
where:
bonds (distance) C4'-P energy: -90.109
bonds (distance) P-C4' energy: -85.274
flat angles C4'-P-C4' energy: -87.007
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -45.217
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: 10
Temperature: 1.200000
Total energy: -641.957431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.957431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.957431 (E_RNA)
where:
Base-Base interactions energy: -317.420
where: short stacking energy: -204.409
Base-Backbone interact. energy: -2.732
local terms energy: -321.805608
where:
bonds (distance) C4'-P energy: -90.404
bonds (distance) P-C4' energy: -84.019
flat angles C4'-P-C4' energy: -87.685
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -18.951
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: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -538.743840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.743840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.743840 (E_RNA)
where:
Base-Base interactions energy: -231.244
where: short stacking energy: -123.289
Base-Backbone interact. energy: -0.929
local terms energy: -306.570402
where:
bonds (distance) C4'-P energy: -85.801
bonds (distance) P-C4' energy: -101.774
flat angles C4'-P-C4' energy: -80.463
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: 10.784
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: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -486.678784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.678784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.678784 (E_RNA)
where:
Base-Base interactions energy: -216.561
where: short stacking energy: -140.333
Base-Backbone interact. energy: 4.533
local terms energy: -274.650553
where:
bonds (distance) C4'-P energy: -77.498
bonds (distance) P-C4' energy: -76.414
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: 3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -447.201408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.201408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.201408 (E_RNA)
where:
Base-Base interactions energy: -209.493
where: short stacking energy: -135.541
Base-Backbone interact. energy: 1.003
local terms energy: -238.712173
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -99.045
flat angles C4'-P-C4' energy: -68.370
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: 14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1225.879641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.879641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.879641 (E_RNA)
where:
Base-Base interactions energy: -736.101
where: short stacking energy: -396.420
Base-Backbone interact. energy: -2.321
local terms energy: -487.458057
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -109.456
flat angles C4'-P-C4' energy: -117.689
flat angles P-C4'-P energy: -62.924
tors. eta vs tors. theta energy: -105.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1075.729111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.729111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.729111 (E_RNA)
where:
Base-Base interactions energy: -651.366
where: short stacking energy: -366.741
Base-Backbone interact. energy: -0.796
local terms energy: -423.567067
where:
bonds (distance) C4'-P energy: -103.824
bonds (distance) P-C4' energy: -93.690
flat angles C4'-P-C4' energy: -89.993
flat angles P-C4'-P energy: -62.375
tors. eta vs tors. theta energy: -73.685
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1005.411878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.411878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.411878 (E_RNA)
where:
Base-Base interactions energy: -590.935
where: short stacking energy: -301.665
Base-Backbone interact. energy: -1.518
local terms energy: -412.958832
where:
bonds (distance) C4'-P energy: -93.814
bonds (distance) P-C4' energy: -86.371
flat angles C4'-P-C4' energy: -96.505
flat angles P-C4'-P energy: -66.218
tors. eta vs tors. theta energy: -70.051
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: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1079.119036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.119036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.119036 (E_RNA)
where:
Base-Base interactions energy: -655.272
where: short stacking energy: -347.362
Base-Backbone interact. energy: -0.124
local terms energy: -423.723333
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -91.670
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -63.439
tors. eta vs tors. theta energy: -75.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -884.272813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.272813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.272813 (E_RNA)
where:
Base-Base interactions energy: -497.735
where: short stacking energy: -294.909
Base-Backbone interact. energy: -0.458
local terms energy: -386.079513
where:
bonds (distance) C4'-P energy: -84.265
bonds (distance) P-C4' energy: -99.783
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -65.831
tors. eta vs tors. theta energy: -64.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -785.920070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.920070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.920070 (E_RNA)
where:
Base-Base interactions energy: -438.417
where: short stacking energy: -260.529
Base-Backbone interact. energy: -1.721
local terms energy: -345.782612
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -81.513
flat angles C4'-P-C4' energy: -88.794
flat angles P-C4'-P energy: -50.637
tors. eta vs tors. theta energy: -38.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -694.344622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.344622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.344622 (E_RNA)
where:
Base-Base interactions energy: -387.909
where: short stacking energy: -249.769
Base-Backbone interact. energy: -1.082
local terms energy: -305.353988
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -48.219
tors. eta vs tors. theta energy: -46.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -590.268997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.268997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.268997 (E_RNA)
where:
Base-Base interactions energy: -285.696
where: short stacking energy: -176.045
Base-Backbone interact. energy: -3.083
local terms energy: -301.489389
where:
bonds (distance) C4'-P energy: -79.353
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -76.791
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -469.356082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.356082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.356082 (E_RNA)
where:
Base-Base interactions energy: -176.920
where: short stacking energy: -164.921
Base-Backbone interact. energy: 1.098
local terms energy: -293.534847
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -86.730
flat angles C4'-P-C4' energy: -80.278
flat angles P-C4'-P energy: -39.967
tors. eta vs tors. theta energy: 1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -400.168555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.168555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.168555 (E_RNA)
where:
Base-Base interactions energy: -179.408
where: short stacking energy: -133.862
Base-Backbone interact. energy: -1.337
local terms energy: -219.423769
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -37.760
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: 18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1210.149810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.149810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.149810 (E_RNA)
where:
Base-Base interactions energy: -746.701
where: short stacking energy: -376.894
Base-Backbone interact. energy: 0.945
local terms energy: -464.393581
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -111.254
flat angles C4'-P-C4' energy: -106.192
flat angles P-C4'-P energy: -73.558
tors. eta vs tors. theta energy: -83.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1104.011648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.011648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.011648 (E_RNA)
where:
Base-Base interactions energy: -660.265
where: short stacking energy: -363.446
Base-Backbone interact. energy: 2.111
local terms energy: -445.856937
where:
bonds (distance) C4'-P energy: -94.482
bonds (distance) P-C4' energy: -97.406
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -55.571
tors. eta vs tors. theta energy: -91.692
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: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1234.644500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.644500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.644500 (E_RNA)
where:
Base-Base interactions energy: -804.771
where: short stacking energy: -399.159
Base-Backbone interact. energy: -2.369
local terms energy: -427.504453
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -83.230
flat angles C4'-P-C4' energy: -105.541
flat angles P-C4'-P energy: -57.945
tors. eta vs tors. theta energy: -92.711
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: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -965.437436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.437436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.437436 (E_RNA)
where:
Base-Base interactions energy: -582.224
where: short stacking energy: -301.845
Base-Backbone interact. energy: -1.521
local terms energy: -381.693024
where:
bonds (distance) C4'-P energy: -88.148
bonds (distance) P-C4' energy: -83.791
flat angles C4'-P-C4' energy: -85.550
flat angles P-C4'-P energy: -56.812
tors. eta vs tors. theta energy: -67.391
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -894.355503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.355503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.355503 (E_RNA)
where:
Base-Base interactions energy: -492.847
where: short stacking energy: -282.152
Base-Backbone interact. energy: -2.838
local terms energy: -398.669755
where:
bonds (distance) C4'-P energy: -85.568
bonds (distance) P-C4' energy: -97.305
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -60.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -752.575473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.575473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.575473 (E_RNA)
where:
Base-Base interactions energy: -409.493
where: short stacking energy: -237.305
Base-Backbone interact. energy: -1.938
local terms energy: -341.145216
where:
bonds (distance) C4'-P energy: -91.446
bonds (distance) P-C4' energy: -87.724
flat angles C4'-P-C4' energy: -84.910
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -32.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -701.516472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.516472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.516472 (E_RNA)
where:
Base-Base interactions energy: -356.412
where: short stacking energy: -210.427
Base-Backbone interact. energy: -1.356
local terms energy: -343.747729
where:
bonds (distance) C4'-P energy: -87.938
bonds (distance) P-C4' energy: -89.808
flat angles C4'-P-C4' energy: -75.089
flat angles P-C4'-P energy: -51.649
tors. eta vs tors. theta energy: -39.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -595.175826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.175826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.175826 (E_RNA)
where:
Base-Base interactions energy: -302.914
where: short stacking energy: -157.992
Base-Backbone interact. energy: -2.560
local terms energy: -289.701164
where:
bonds (distance) C4'-P energy: -84.984
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -485.088748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.088748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.088748 (E_RNA)
where:
Base-Base interactions energy: -209.732
where: short stacking energy: -140.863
Base-Backbone interact. energy: -0.653
local terms energy: -274.704321
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -78.056
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: 8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -420.922879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.922879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.922879 (E_RNA)
where:
Base-Base interactions energy: -151.253
where: short stacking energy: -125.906
Base-Backbone interact. energy: 8.402
local terms energy: -278.072824
where:
bonds (distance) C4'-P energy: -76.729
bonds (distance) P-C4' energy: -91.984
flat angles C4'-P-C4' energy: -66.614
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: 7.442
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1228.661486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.661486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.661486 (E_RNA)
where:
Base-Base interactions energy: -769.250
where: short stacking energy: -394.203
Base-Backbone interact. energy: -0.802
local terms energy: -458.608901
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -92.283
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -90.107
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1307.888861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.888861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.888861 (E_RNA)
where:
Base-Base interactions energy: -822.553
where: short stacking energy: -423.296
Base-Backbone interact. energy: -0.026
local terms energy: -485.309573
where:
bonds (distance) C4'-P energy: -105.452
bonds (distance) P-C4' energy: -105.810
flat angles C4'-P-C4' energy: -94.223
flat angles P-C4'-P energy: -66.487
tors. eta vs tors. theta energy: -113.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1040.956835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.956835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.956835 (E_RNA)
where:
Base-Base interactions energy: -601.730
where: short stacking energy: -349.460
Base-Backbone interact. energy: 0.056
local terms energy: -439.283630
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -99.796
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -78.829
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1038.170448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.170448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.170448 (E_RNA)
where:
Base-Base interactions energy: -628.277
where: short stacking energy: -311.216
Base-Backbone interact. energy: 2.107
local terms energy: -412.000608
where:
bonds (distance) C4'-P energy: -97.190
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -67.674
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -969.586933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.586933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.586933 (E_RNA)
where:
Base-Base interactions energy: -574.083
where: short stacking energy: -309.125
Base-Backbone interact. energy: -2.305
local terms energy: -393.198829
where:
bonds (distance) C4'-P energy: -83.507
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -93.483
flat angles P-C4'-P energy: -51.753
tors. eta vs tors. theta energy: -70.881
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: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -790.943797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.943797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.943797 (E_RNA)
where:
Base-Base interactions energy: -425.588
where: short stacking energy: -251.240
Base-Backbone interact. energy: -0.806
local terms energy: -364.549118
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -44.968
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: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -672.077632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.077632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.077632 (E_RNA)
where:
Base-Base interactions energy: -349.401
where: short stacking energy: -185.981
Base-Backbone interact. energy: 2.248
local terms energy: -324.925067
where:
bonds (distance) C4'-P energy: -83.671
bonds (distance) P-C4' energy: -91.689
flat angles C4'-P-C4' energy: -94.052
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -639.466744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.466744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.466744 (E_RNA)
where:
Base-Base interactions energy: -341.991
where: short stacking energy: -190.703
Base-Backbone interact. energy: 0.645
local terms energy: -298.121563
where:
bonds (distance) C4'-P energy: -63.816
bonds (distance) P-C4' energy: -82.984
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -514.565060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.565060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.565060 (E_RNA)
where:
Base-Base interactions energy: -244.294
where: short stacking energy: -149.796
Base-Backbone interact. energy: -1.209
local terms energy: -269.061465
where:
bonds (distance) C4'-P energy: -72.968
bonds (distance) P-C4' energy: -78.672
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -443.002926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.002926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.002926 (E_RNA)
where:
Base-Base interactions energy: -174.322
where: short stacking energy: -138.730
Base-Backbone interact. energy: 0.456
local terms energy: -269.137102
where:
bonds (distance) C4'-P energy: -65.735
bonds (distance) P-C4' energy: -87.698
flat angles C4'-P-C4' energy: -85.743
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: 4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1364.158219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.158219 (E_RNA)
where:
Base-Base interactions energy: -897.173
where: short stacking energy: -447.731
Base-Backbone interact. energy: -2.030
local terms energy: -464.955458
where:
bonds (distance) C4'-P energy: -96.403
bonds (distance) P-C4' energy: -93.573
flat angles C4'-P-C4' energy: -94.135
flat angles P-C4'-P energy: -64.294
tors. eta vs tors. theta energy: -116.551
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: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1194.217833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.217833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.217833 (E_RNA)
where:
Base-Base interactions energy: -741.973
where: short stacking energy: -379.244
Base-Backbone interact. energy: -0.550
local terms energy: -451.694361
where:
bonds (distance) C4'-P energy: -102.290
bonds (distance) P-C4' energy: -97.250
flat angles C4'-P-C4' energy: -96.645
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -82.725
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1150.624126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.624126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.624126 (E_RNA)
where:
Base-Base interactions energy: -714.186
where: short stacking energy: -368.386
Base-Backbone interact. energy: 1.479
local terms energy: -437.917084
where:
bonds (distance) C4'-P energy: -86.864
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -105.349
flat angles P-C4'-P energy: -66.487
tors. eta vs tors. theta energy: -84.982
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: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -992.785636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.785636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.785636 (E_RNA)
where:
Base-Base interactions energy: -587.115
where: short stacking energy: -300.713
Base-Backbone interact. energy: -1.755
local terms energy: -403.915090
where:
bonds (distance) C4'-P energy: -68.706
bonds (distance) P-C4' energy: -101.487
flat angles C4'-P-C4' energy: -103.759
flat angles P-C4'-P energy: -49.205
tors. eta vs tors. theta energy: -80.758
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: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -926.772725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.772725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.772725 (E_RNA)
where:
Base-Base interactions energy: -546.653
where: short stacking energy: -293.624
Base-Backbone interact. energy: -1.544
local terms energy: -378.575334
where:
bonds (distance) C4'-P energy: -86.570
bonds (distance) P-C4' energy: -82.381
flat angles C4'-P-C4' energy: -92.788
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -62.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -748.655670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.655670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.655670 (E_RNA)
where:
Base-Base interactions energy: -381.268
where: short stacking energy: -236.889
Base-Backbone interact. energy: 3.174
local terms energy: -370.561856
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -100.438
flat angles C4'-P-C4' energy: -96.470
flat angles P-C4'-P energy: -51.210
tors. eta vs tors. theta energy: -38.852
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: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -707.817289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.817289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.817289 (E_RNA)
where:
Base-Base interactions energy: -391.307
where: short stacking energy: -205.606
Base-Backbone interact. energy: 2.997
local terms energy: -319.506538
where:
bonds (distance) C4'-P energy: -84.241
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -89.991
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -618.763112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.763112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.763112 (E_RNA)
where:
Base-Base interactions energy: -306.648
where: short stacking energy: -194.645
Base-Backbone interact. energy: -0.099
local terms energy: -312.016320
where:
bonds (distance) C4'-P energy: -76.998
bonds (distance) P-C4' energy: -84.908
flat angles C4'-P-C4' energy: -78.803
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -573.972404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.972404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.972404 (E_RNA)
where:
Base-Base interactions energy: -289.246
where: short stacking energy: -178.811
Base-Backbone interact. energy: 5.359
local terms energy: -290.085170
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -82.474
flat angles C4'-P-C4' energy: -76.381
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -13.843
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -415.566183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.566183 (E_RNA)
where:
Base-Base interactions energy: -174.936
where: short stacking energy: -108.756
Base-Backbone interact. energy: -2.849
local terms energy: -237.780519
where:
bonds (distance) C4'-P energy: -84.945
bonds (distance) P-C4' energy: -80.744
flat angles C4'-P-C4' energy: -66.598
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: 27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1349.947362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.947362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.947362 (E_RNA)
where:
Base-Base interactions energy: -877.650
where: short stacking energy: -415.582
Base-Backbone interact. energy: -4.194
local terms energy: -468.103443
where:
bonds (distance) C4'-P energy: -97.507
bonds (distance) P-C4' energy: -102.654
flat angles C4'-P-C4' energy: -112.499
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -94.979
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: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1251.273881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.273881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.273881 (E_RNA)
where:
Base-Base interactions energy: -794.758
where: short stacking energy: -400.291
Base-Backbone interact. energy: 0.307
local terms energy: -456.822473
where:
bonds (distance) C4'-P energy: -96.927
bonds (distance) P-C4' energy: -100.212
flat angles C4'-P-C4' energy: -95.169
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -108.624
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: 15
Temperature: 1.000000
Total energy: -1119.924413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.924413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.924413 (E_RNA)
where:
Base-Base interactions energy: -710.684
where: short stacking energy: -354.965
Base-Backbone interact. energy: -1.981
local terms energy: -407.259378
where:
bonds (distance) C4'-P energy: -82.124
bonds (distance) P-C4' energy: -90.965
flat angles C4'-P-C4' energy: -90.489
flat angles P-C4'-P energy: -61.262
tors. eta vs tors. theta energy: -82.420
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1018.953727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.953727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.953727 (E_RNA)
where:
Base-Base interactions energy: -617.581
where: short stacking energy: -336.175
Base-Backbone interact. energy: 0.407
local terms energy: -401.779449
where:
bonds (distance) C4'-P energy: -82.455
bonds (distance) P-C4' energy: -89.800
flat angles C4'-P-C4' energy: -88.134
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -78.832
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: 15
Temperature: 1.100000
Total energy: -953.264581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.264581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.264581 (E_RNA)
where:
Base-Base interactions energy: -576.170
where: short stacking energy: -270.886
Base-Backbone interact. energy: -2.313
local terms energy: -374.781565
where:
bonds (distance) C4'-P energy: -85.123
bonds (distance) P-C4' energy: -95.941
flat angles C4'-P-C4' energy: -84.818
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -56.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -847.909460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.909460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.909460 (E_RNA)
where:
Base-Base interactions energy: -505.276
where: short stacking energy: -266.769
Base-Backbone interact. energy: 1.242
local terms energy: -343.875429
where:
bonds (distance) C4'-P energy: -74.107
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -77.397
flat angles P-C4'-P energy: -55.727
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: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -760.406880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.406880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.406880 (E_RNA)
where:
Base-Base interactions energy: -425.156
where: short stacking energy: -233.185
Base-Backbone interact. energy: 4.676
local terms energy: -339.926485
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -92.141
flat angles C4'-P-C4' energy: -76.015
flat angles P-C4'-P energy: -55.334
tors. eta vs tors. theta energy: -41.071
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: 15
Temperature: 1.250000
Total energy: -612.679204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.679204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.679204 (E_RNA)
where:
Base-Base interactions energy: -322.972
where: short stacking energy: -155.550
Base-Backbone interact. energy: 0.892
local terms energy: -290.599182
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: 2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -580.994240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.994240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.994240 (E_RNA)
where:
Base-Base interactions energy: -294.908
where: short stacking energy: -143.829
Base-Backbone interact. energy: 3.221
local terms energy: -289.307069
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -90.897
flat angles C4'-P-C4' energy: -70.993
flat angles P-C4'-P energy: -52.960
tors. eta vs tors. theta energy: 4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -396.667949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.667949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.667949 (E_RNA)
where:
Base-Base interactions energy: -140.437
where: short stacking energy: -107.152
Base-Backbone interact. energy: -2.101
local terms energy: -254.129868
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: 20.690
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: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1346.859524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.859524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.859524 (E_RNA)
where:
Base-Base interactions energy: -841.207
where: short stacking energy: -433.706
Base-Backbone interact. energy: -0.493
local terms energy: -505.160027
where:
bonds (distance) C4'-P energy: -92.952
bonds (distance) P-C4' energy: -109.530
flat angles C4'-P-C4' energy: -100.167
flat angles P-C4'-P energy: -81.682
tors. eta vs tors. theta energy: -120.829
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: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1342.930412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.930412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.930412 (E_RNA)
where:
Base-Base interactions energy: -860.065
where: short stacking energy: -417.769
Base-Backbone interact. energy: -1.886
local terms energy: -480.978863
where:
bonds (distance) C4'-P energy: -96.508
bonds (distance) P-C4' energy: -102.836
flat angles C4'-P-C4' energy: -99.759
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: -105.985
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1147.849392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.849392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.849392 (E_RNA)
where:
Base-Base interactions energy: -719.962
where: short stacking energy: -351.292
Base-Backbone interact. energy: -4.093
local terms energy: -423.794474
where:
bonds (distance) C4'-P energy: -89.005
bonds (distance) P-C4' energy: -102.760
flat angles C4'-P-C4' energy: -93.880
flat angles P-C4'-P energy: -64.253
tors. eta vs tors. theta energy: -73.897
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -983.072712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.072712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.072712 (E_RNA)
where:
Base-Base interactions energy: -572.169
where: short stacking energy: -304.352
Base-Backbone interact. energy: 0.560
local terms energy: -411.464046
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -85.777
flat angles C4'-P-C4' energy: -105.792
flat angles P-C4'-P energy: -63.342
tors. eta vs tors. theta energy: -78.834
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: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -906.694367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.694367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.694367 (E_RNA)
where:
Base-Base interactions energy: -534.971
where: short stacking energy: -277.226
Base-Backbone interact. energy: -3.145
local terms energy: -368.577892
where:
bonds (distance) C4'-P energy: -107.100
bonds (distance) P-C4' energy: -81.219
flat angles C4'-P-C4' energy: -79.332
flat angles P-C4'-P energy: -56.666
tors. eta vs tors. theta energy: -44.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -825.323414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.323414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.323414 (E_RNA)
where:
Base-Base interactions energy: -493.424
where: short stacking energy: -265.940
Base-Backbone interact. energy: 3.968
local terms energy: -335.867574
where:
bonds (distance) C4'-P energy: -72.684
bonds (distance) P-C4' energy: -101.630
flat angles C4'-P-C4' energy: -79.196
flat angles P-C4'-P energy: -39.967
tors. eta vs tors. theta energy: -42.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -758.077663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.077663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.077663 (E_RNA)
where:
Base-Base interactions energy: -419.904
where: short stacking energy: -222.052
Base-Backbone interact. energy: -2.036
local terms energy: -336.137842
where:
bonds (distance) C4'-P energy: -82.635
bonds (distance) P-C4' energy: -89.205
flat angles C4'-P-C4' energy: -78.380
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -618.882401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.882401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.882401 (E_RNA)
where:
Base-Base interactions energy: -359.795
where: short stacking energy: -177.458
Base-Backbone interact. energy: -2.119
local terms energy: -256.968446
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -72.512
flat angles C4'-P-C4' energy: -75.581
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -557.561663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.561663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.561663 (E_RNA)
where:
Base-Base interactions energy: -297.462
where: short stacking energy: -163.854
Base-Backbone interact. energy: -1.900
local terms energy: -258.199608
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -86.093
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -403.736987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.736987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.736987 (E_RNA)
where:
Base-Base interactions energy: -134.819
where: short stacking energy: -97.038
Base-Backbone interact. energy: 1.057
local terms energy: -269.974746
where:
bonds (distance) C4'-P energy: -73.511
bonds (distance) P-C4' energy: -86.786
flat angles C4'-P-C4' energy: -77.815
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: 14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1348.010175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.010175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.010175 (E_RNA)
where:
Base-Base interactions energy: -847.395
where: short stacking energy: -415.271
Base-Backbone interact. energy: -2.103
local terms energy: -498.511895
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -113.452
flat angles C4'-P-C4' energy: -99.330
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -107.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1356.771499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.771499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.771499 (E_RNA)
where:
Base-Base interactions energy: -881.511
where: short stacking energy: -405.339
Base-Backbone interact. energy: -3.765
local terms energy: -471.495320
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -103.318
flat angles P-C4'-P energy: -65.603
tors. eta vs tors. theta energy: -107.113
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: 17
Temperature: 1.000000
Total energy: -1136.087680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.087680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.087680 (E_RNA)
where:
Base-Base interactions energy: -692.600
where: short stacking energy: -356.420
Base-Backbone interact. energy: -2.571
local terms energy: -440.916567
where:
bonds (distance) C4'-P energy: -94.687
bonds (distance) P-C4' energy: -102.196
flat angles C4'-P-C4' energy: -97.624
flat angles P-C4'-P energy: -66.213
tors. eta vs tors. theta energy: -80.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -967.220548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.220548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.220548 (E_RNA)
where:
Base-Base interactions energy: -597.425
where: short stacking energy: -302.102
Base-Backbone interact. energy: -1.868
local terms energy: -367.927702
where:
bonds (distance) C4'-P energy: -72.911
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -81.151
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -49.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -834.642576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.642576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.642576 (E_RNA)
where:
Base-Base interactions energy: -470.775
where: short stacking energy: -270.007
Base-Backbone interact. energy: -3.386
local terms energy: -360.481113
where:
bonds (distance) C4'-P energy: -81.544
bonds (distance) P-C4' energy: -96.977
flat angles C4'-P-C4' energy: -87.191
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: -47.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -865.626775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.626775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.626775 (E_RNA)
where:
Base-Base interactions energy: -515.389
where: short stacking energy: -221.278
Base-Backbone interact. energy: -3.369
local terms energy: -346.868658
where:
bonds (distance) C4'-P energy: -88.624
bonds (distance) P-C4' energy: -83.061
flat angles C4'-P-C4' energy: -81.524
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -41.342
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: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -798.018206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.018206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.018206 (E_RNA)
where:
Base-Base interactions energy: -473.820
where: short stacking energy: -242.062
Base-Backbone interact. energy: 2.620
local terms energy: -326.817969
where:
bonds (distance) C4'-P energy: -79.103
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -87.154
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: -37.471
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: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -711.000277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.000277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.000277 (E_RNA)
where:
Base-Base interactions energy: -396.271
where: short stacking energy: -205.734
Base-Backbone interact. energy: -2.302
local terms energy: -312.427582
where:
bonds (distance) C4'-P energy: -81.562
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -85.207
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -550.271148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.271148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.271148 (E_RNA)
where:
Base-Base interactions energy: -259.177
where: short stacking energy: -168.524
Base-Backbone interact. energy: -1.472
local terms energy: -289.621842
where:
bonds (distance) C4'-P energy: -84.182
bonds (distance) P-C4' energy: -86.622
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -387.432005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.432005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.432005 (E_RNA)
where:
Base-Base interactions energy: -127.353
where: short stacking energy: -116.145
Base-Backbone interact. energy: -2.338
local terms energy: -257.741772
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -88.899
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: 9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1340.137033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.137033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.137033 (E_RNA)
where:
Base-Base interactions energy: -824.524
where: short stacking energy: -424.242
Base-Backbone interact. energy: -1.265
local terms energy: -514.348314
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -103.510
flat angles C4'-P-C4' energy: -114.262
flat angles P-C4'-P energy: -78.070
tors. eta vs tors. theta energy: -112.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1343.627971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.627971 (E_RNA)
where:
Base-Base interactions energy: -859.051
where: short stacking energy: -412.030
Base-Backbone interact. energy: -2.703
local terms energy: -481.873855
where:
bonds (distance) C4'-P energy: -80.993
bonds (distance) P-C4' energy: -101.579
flat angles C4'-P-C4' energy: -113.010
flat angles P-C4'-P energy: -72.435
tors. eta vs tors. theta energy: -113.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1168.793222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.793222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.793222 (E_RNA)
where:
Base-Base interactions energy: -728.438
where: short stacking energy: -353.115
Base-Backbone interact. energy: -2.293
local terms energy: -438.062546
where:
bonds (distance) C4'-P energy: -88.525
bonds (distance) P-C4' energy: -98.474
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -88.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -991.459803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.459803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.459803 (E_RNA)
where:
Base-Base interactions energy: -650.764
where: short stacking energy: -323.184
Base-Backbone interact. energy: -0.555
local terms energy: -340.140114
where:
bonds (distance) C4'-P energy: -71.835
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -81.894
flat angles P-C4'-P energy: -53.807
tors. eta vs tors. theta energy: -37.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -996.214387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.214387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.214387 (E_RNA)
where:
Base-Base interactions energy: -604.631
where: short stacking energy: -308.664
Base-Backbone interact. energy: -1.354
local terms energy: -390.229018
where:
bonds (distance) C4'-P energy: -77.981
bonds (distance) P-C4' energy: -100.796
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -59.003
tors. eta vs tors. theta energy: -62.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -845.506647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.506647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.506647 (E_RNA)
where:
Base-Base interactions energy: -488.821
where: short stacking energy: -243.855
Base-Backbone interact. energy: 1.170
local terms energy: -357.855740
where:
bonds (distance) C4'-P energy: -97.397
bonds (distance) P-C4' energy: -82.819
flat angles C4'-P-C4' energy: -92.400
flat angles P-C4'-P energy: -48.850
tors. eta vs tors. theta energy: -36.389
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: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -878.394249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.394249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.394249 (E_RNA)
where:
Base-Base interactions energy: -550.201
where: short stacking energy: -272.682
Base-Backbone interact. energy: -1.546
local terms energy: -326.647061
where:
bonds (distance) C4'-P energy: -74.217
bonds (distance) P-C4' energy: -89.720
flat angles C4'-P-C4' energy: -84.944
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -34.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -645.548307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.548307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.548307 (E_RNA)
where:
Base-Base interactions energy: -334.727
where: short stacking energy: -183.885
Base-Backbone interact. energy: -0.349
local terms energy: -310.472202
where:
bonds (distance) C4'-P energy: -78.783
bonds (distance) P-C4' energy: -78.421
flat angles C4'-P-C4' energy: -88.657
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -543.692717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.692717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.692717 (E_RNA)
where:
Base-Base interactions energy: -251.526
where: short stacking energy: -145.681
Base-Backbone interact. energy: 2.823
local terms energy: -294.990149
where:
bonds (distance) C4'-P energy: -82.660
bonds (distance) P-C4' energy: -93.477
flat angles C4'-P-C4' energy: -70.914
flat angles P-C4'-P energy: -38.465
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -398.071133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.071133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.071133 (E_RNA)
where:
Base-Base interactions energy: -128.135
where: short stacking energy: -112.890
Base-Backbone interact. energy: -0.096
local terms energy: -269.840278
where:
bonds (distance) C4'-P energy: -79.577
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -57.210
flat angles P-C4'-P energy: -49.948
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: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1303.748329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.748329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.748329 (E_RNA)
where:
Base-Base interactions energy: -823.077
where: short stacking energy: -420.239
Base-Backbone interact. energy: -3.837
local terms energy: -476.833675
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -105.679
flat angles C4'-P-C4' energy: -105.563
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: -100.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1353.108010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.108010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.108010 (E_RNA)
where:
Base-Base interactions energy: -887.797
where: short stacking energy: -390.750
Base-Backbone interact. energy: -3.381
local terms energy: -461.929389
where:
bonds (distance) C4'-P energy: -93.167
bonds (distance) P-C4' energy: -104.978
flat angles C4'-P-C4' energy: -97.551
flat angles P-C4'-P energy: -71.799
tors. eta vs tors. theta energy: -94.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1180.559129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.559129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.559129 (E_RNA)
where:
Base-Base interactions energy: -740.636
where: short stacking energy: -406.613
Base-Backbone interact. energy: 8.063
local terms energy: -447.986973
where:
bonds (distance) C4'-P energy: -88.441
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -56.877
tors. eta vs tors. theta energy: -98.951
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1062.200557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.200557 (E_RNA)
where:
Base-Base interactions energy: -642.947
where: short stacking energy: -349.084
Base-Backbone interact. energy: 0.288
local terms energy: -419.542058
where:
bonds (distance) C4'-P energy: -81.604
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -95.717
flat angles P-C4'-P energy: -63.625
tors. eta vs tors. theta energy: -85.203
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: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -982.846893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.846893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.846893 (E_RNA)
where:
Base-Base interactions energy: -609.523
where: short stacking energy: -297.478
Base-Backbone interact. energy: 1.186
local terms energy: -374.510425
where:
bonds (distance) C4'-P energy: -82.434
bonds (distance) P-C4' energy: -79.317
flat angles C4'-P-C4' energy: -87.108
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -71.268
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: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -801.247035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.247035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.247035 (E_RNA)
where:
Base-Base interactions energy: -449.494
where: short stacking energy: -234.944
Base-Backbone interact. energy: -0.942
local terms energy: -350.811637
where:
bonds (distance) C4'-P energy: -88.160
bonds (distance) P-C4' energy: -87.638
flat angles C4'-P-C4' energy: -91.410
flat angles P-C4'-P energy: -52.734
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: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -757.277138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.277138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.277138 (E_RNA)
where:
Base-Base interactions energy: -409.889
where: short stacking energy: -225.814
Base-Backbone interact. energy: 12.916
local terms energy: -360.304551
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -93.676
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -63.394
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -690.608466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.608466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.608466 (E_RNA)
where:
Base-Base interactions energy: -416.437
where: short stacking energy: -206.661
Base-Backbone interact. energy: 0.788
local terms energy: -274.959269
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -73.732
flat angles C4'-P-C4' energy: -73.076
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -19.693
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: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -582.982649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.982649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.982649 (E_RNA)
where:
Base-Base interactions energy: -295.395
where: short stacking energy: -170.081
Base-Backbone interact. energy: -1.418
local terms energy: -286.169257
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -72.771
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -388.370760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.370760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.370760 (E_RNA)
where:
Base-Base interactions energy: -149.869
where: short stacking energy: -125.466
Base-Backbone interact. energy: -1.811
local terms energy: -236.690950
where:
bonds (distance) C4'-P energy: -83.698
bonds (distance) P-C4' energy: -83.723
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: 17.272
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1418.810091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.810091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.810091 (E_RNA)
where:
Base-Base interactions energy: -922.804
where: short stacking energy: -436.233
Base-Backbone interact. energy: 0.413
local terms energy: -496.418622
where:
bonds (distance) C4'-P energy: -102.823
bonds (distance) P-C4' energy: -94.466
flat angles C4'-P-C4' energy: -104.648
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -116.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1307.138130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.138130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.138130 (E_RNA)
where:
Base-Base interactions energy: -838.481
where: short stacking energy: -424.956
Base-Backbone interact. energy: -4.393
local terms energy: -464.264029
where:
bonds (distance) C4'-P energy: -95.746
bonds (distance) P-C4' energy: -97.436
flat angles C4'-P-C4' energy: -101.842
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -105.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1211.986238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.986238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.986238 (E_RNA)
where:
Base-Base interactions energy: -767.580
where: short stacking energy: -370.493
Base-Backbone interact. energy: -4.353
local terms energy: -440.052425
where:
bonds (distance) C4'-P energy: -94.470
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -95.114
flat angles P-C4'-P energy: -63.068
tors. eta vs tors. theta energy: -91.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1115.913485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.913485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.913485 (E_RNA)
where:
Base-Base interactions energy: -666.477
where: short stacking energy: -350.287
Base-Backbone interact. energy: -2.643
local terms energy: -446.793856
where:
bonds (distance) C4'-P energy: -106.258
bonds (distance) P-C4' energy: -88.521
flat angles C4'-P-C4' energy: -101.877
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -92.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1023.264329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.264329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.264329 (E_RNA)
where:
Base-Base interactions energy: -662.225
where: short stacking energy: -294.384
Base-Backbone interact. energy: -2.405
local terms energy: -358.633473
where:
bonds (distance) C4'-P energy: -84.920
bonds (distance) P-C4' energy: -79.440
flat angles C4'-P-C4' energy: -85.575
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -59.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -857.735331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.735331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.735331 (E_RNA)
where:
Base-Base interactions energy: -487.452
where: short stacking energy: -252.028
Base-Backbone interact. energy: -0.595
local terms energy: -369.687853
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -91.058
flat angles C4'-P-C4' energy: -93.024
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -56.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -749.205465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.205465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.205465 (E_RNA)
where:
Base-Base interactions energy: -427.151
where: short stacking energy: -237.650
Base-Backbone interact. energy: -1.724
local terms energy: -320.330191
where:
bonds (distance) C4'-P energy: -69.103
bonds (distance) P-C4' energy: -77.768
flat angles C4'-P-C4' energy: -85.119
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -47.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -743.628788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.628788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.628788 (E_RNA)
where:
Base-Base interactions energy: -424.836
where: short stacking energy: -210.800
Base-Backbone interact. energy: 0.635
local terms energy: -319.427860
where:
bonds (distance) C4'-P energy: -77.368
bonds (distance) P-C4' energy: -88.653
flat angles C4'-P-C4' energy: -86.167
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -544.442740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.442740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.442740 (E_RNA)
where:
Base-Base interactions energy: -284.198
where: short stacking energy: -145.589
Base-Backbone interact. energy: 2.630
local terms energy: -262.874590
where:
bonds (distance) C4'-P energy: -90.745
bonds (distance) P-C4' energy: -81.887
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: 5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -403.909578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.909578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.909578 (E_RNA)
where:
Base-Base interactions energy: -147.773
where: short stacking energy: -121.407
Base-Backbone interact. energy: 2.268
local terms energy: -258.404331
where:
bonds (distance) C4'-P energy: -67.389
bonds (distance) P-C4' energy: -89.905
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -53.665
tors. eta vs tors. theta energy: 10.107
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1413.686044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.686044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.686044 (E_RNA)
where:
Base-Base interactions energy: -917.020
where: short stacking energy: -426.893
Base-Backbone interact. energy: -0.231
local terms energy: -496.434875
where:
bonds (distance) C4'-P energy: -101.764
bonds (distance) P-C4' energy: -101.016
flat angles C4'-P-C4' energy: -116.502
flat angles P-C4'-P energy: -62.048
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: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1288.000824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.000824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.000824 (E_RNA)
where:
Base-Base interactions energy: -806.307
where: short stacking energy: -396.640
Base-Backbone interact. energy: -3.091
local terms energy: -478.603116
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -100.468
flat angles C4'-P-C4' energy: -118.074
flat angles P-C4'-P energy: -69.098
tors. eta vs tors. theta energy: -102.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1205.889540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.889540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.889540 (E_RNA)
where:
Base-Base interactions energy: -765.252
where: short stacking energy: -382.755
Base-Backbone interact. energy: -3.746
local terms energy: -436.891542
where:
bonds (distance) C4'-P energy: -90.053
bonds (distance) P-C4' energy: -96.708
flat angles C4'-P-C4' energy: -103.133
flat angles P-C4'-P energy: -62.072
tors. eta vs tors. theta energy: -84.925
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1138.730970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.730970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.730970 (E_RNA)
where:
Base-Base interactions energy: -714.489
where: short stacking energy: -361.175
Base-Backbone interact. energy: -1.372
local terms energy: -422.870080
where:
bonds (distance) C4'-P energy: -82.689
bonds (distance) P-C4' energy: -89.512
flat angles C4'-P-C4' energy: -93.131
flat angles P-C4'-P energy: -61.690
tors. eta vs tors. theta energy: -95.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1058.119963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.119963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.119963 (E_RNA)
where:
Base-Base interactions energy: -666.943
where: short stacking energy: -329.499
Base-Backbone interact. energy: -2.119
local terms energy: -389.058857
where:
bonds (distance) C4'-P energy: -89.749
bonds (distance) P-C4' energy: -90.573
flat angles C4'-P-C4' energy: -60.952
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -73.469
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: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -865.981070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.981070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.981070 (E_RNA)
where:
Base-Base interactions energy: -509.808
where: short stacking energy: -265.914
Base-Backbone interact. energy: 1.422
local terms energy: -357.594727
where:
bonds (distance) C4'-P energy: -87.402
bonds (distance) P-C4' energy: -82.113
flat angles C4'-P-C4' energy: -90.532
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -792.467765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.467765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.467765 (E_RNA)
where:
Base-Base interactions energy: -461.957
where: short stacking energy: -228.563
Base-Backbone interact. energy: -1.376
local terms energy: -329.134793
where:
bonds (distance) C4'-P energy: -78.276
bonds (distance) P-C4' energy: -82.932
flat angles C4'-P-C4' energy: -87.935
flat angles P-C4'-P energy: -49.458
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -602.203995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.203995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.203995 (E_RNA)
where:
Base-Base interactions energy: -343.093
where: short stacking energy: -169.161
Base-Backbone interact. energy: 1.858
local terms energy: -260.968967
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -71.895
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -46.148
tors. eta vs tors. theta energy: 1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -550.049049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.049049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.049049 (E_RNA)
where:
Base-Base interactions energy: -247.609
where: short stacking energy: -156.437
Base-Backbone interact. energy: -1.558
local terms energy: -300.882150
where:
bonds (distance) C4'-P energy: -88.217
bonds (distance) P-C4' energy: -91.120
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: -9.494
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -415.545299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.545299 (E_RNA)
where:
Base-Base interactions energy: -143.801
where: short stacking energy: -122.029
Base-Backbone interact. energy: 3.765
local terms energy: -275.509288
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -82.845
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -50.464
tors. eta vs tors. theta energy: -2.312
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: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1469.748813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.748813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.748813 (E_RNA)
where:
Base-Base interactions energy: -938.636
where: short stacking energy: -443.411
Base-Backbone interact. energy: -1.789
local terms energy: -529.323515
where:
bonds (distance) C4'-P energy: -108.108
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -109.827
flat angles P-C4'-P energy: -76.222
tors. eta vs tors. theta energy: -125.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1277.913420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.913420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.913420 (E_RNA)
where:
Base-Base interactions energy: -825.405
where: short stacking energy: -418.310
Base-Backbone interact. energy: -0.300
local terms energy: -452.208297
where:
bonds (distance) C4'-P energy: -93.726
bonds (distance) P-C4' energy: -90.074
flat angles C4'-P-C4' energy: -108.327
flat angles P-C4'-P energy: -66.103
tors. eta vs tors. theta energy: -93.978
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1204.719080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.719080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.719080 (E_RNA)
where:
Base-Base interactions energy: -761.490
where: short stacking energy: -359.736
Base-Backbone interact. energy: -1.959
local terms energy: -441.270657
where:
bonds (distance) C4'-P energy: -99.294
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -107.382
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -76.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1130.759520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.759520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.759520 (E_RNA)
where:
Base-Base interactions energy: -706.141
where: short stacking energy: -361.659
Base-Backbone interact. energy: -3.033
local terms energy: -421.585023
where:
bonds (distance) C4'-P energy: -91.983
bonds (distance) P-C4' energy: -87.389
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -92.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1001.735311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.735311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.735311 (E_RNA)
where:
Base-Base interactions energy: -636.278
where: short stacking energy: -284.534
Base-Backbone interact. energy: 8.831
local terms energy: -374.287925
where:
bonds (distance) C4'-P energy: -75.449
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -92.592
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -43.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -925.084615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.084615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.084615 (E_RNA)
where:
Base-Base interactions energy: -589.649
where: short stacking energy: -271.003
Base-Backbone interact. energy: -0.422
local terms energy: -335.013409
where:
bonds (distance) C4'-P energy: -89.964
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -78.351
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -50.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -750.280225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.280225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.280225 (E_RNA)
where:
Base-Base interactions energy: -439.650
where: short stacking energy: -244.580
Base-Backbone interact. energy: 8.590
local terms energy: -319.219803
where:
bonds (distance) C4'-P energy: -81.804
bonds (distance) P-C4' energy: -77.621
flat angles C4'-P-C4' energy: -84.586
flat angles P-C4'-P energy: -53.959
tors. eta vs tors. theta energy: -21.249
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -603.597519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.597519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.597519 (E_RNA)
where:
Base-Base interactions energy: -295.732
where: short stacking energy: -190.493
Base-Backbone interact. energy: 0.297
local terms energy: -308.163041
where:
bonds (distance) C4'-P energy: -80.154
bonds (distance) P-C4' energy: -89.338
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -63.343
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: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -590.461094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.461094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.461094 (E_RNA)
where:
Base-Base interactions energy: -300.672
where: short stacking energy: -168.397
Base-Backbone interact. energy: -1.115
local terms energy: -288.674581
where:
bonds (distance) C4'-P energy: -75.398
bonds (distance) P-C4' energy: -85.098
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -10.754
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -412.888574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.888574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.888574 (E_RNA)
where:
Base-Base interactions energy: -158.800
where: short stacking energy: -99.266
Base-Backbone interact. energy: -0.764
local terms energy: -253.324118
where:
bonds (distance) C4'-P energy: -89.318
bonds (distance) P-C4' energy: -87.017
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: 27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1487.608762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.608762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.608762 (E_RNA)
where:
Base-Base interactions energy: -993.097
where: short stacking energy: -458.260
Base-Backbone interact. energy: -2.309
local terms energy: -492.203007
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -100.127
flat angles C4'-P-C4' energy: -108.012
flat angles P-C4'-P energy: -73.160
tors. eta vs tors. theta energy: -121.000
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: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1300.208041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.208041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.208041 (E_RNA)
where:
Base-Base interactions energy: -834.066
where: short stacking energy: -403.443
Base-Backbone interact. energy: -1.745
local terms energy: -464.396952
where:
bonds (distance) C4'-P energy: -89.732
bonds (distance) P-C4' energy: -103.783
flat angles C4'-P-C4' energy: -104.949
flat angles P-C4'-P energy: -68.918
tors. eta vs tors. theta energy: -97.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1204.721731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.721731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.721731 (E_RNA)
where:
Base-Base interactions energy: -766.532
where: short stacking energy: -365.316
Base-Backbone interact. energy: -2.741
local terms energy: -435.448418
where:
bonds (distance) C4'-P energy: -76.609
bonds (distance) P-C4' energy: -102.268
flat angles C4'-P-C4' energy: -101.686
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -94.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1122.507590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.507590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.507590 (E_RNA)
where:
Base-Base interactions energy: -691.134
where: short stacking energy: -369.566
Base-Backbone interact. energy: -2.792
local terms energy: -428.582325
where:
bonds (distance) C4'-P energy: -81.561
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -99.087
flat angles P-C4'-P energy: -60.602
tors. eta vs tors. theta energy: -93.780
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: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1092.983456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.983456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.983456 (E_RNA)
where:
Base-Base interactions energy: -695.699
where: short stacking energy: -320.881
Base-Backbone interact. energy: -1.729
local terms energy: -395.555788
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -87.405
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -58.852
tors. eta vs tors. theta energy: -62.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -924.920208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.920208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.920208 (E_RNA)
where:
Base-Base interactions energy: -573.456
where: short stacking energy: -272.728
Base-Backbone interact. energy: -4.637
local terms energy: -346.827979
where:
bonds (distance) C4'-P energy: -75.928
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -86.423
flat angles P-C4'-P energy: -42.016
tors. eta vs tors. theta energy: -46.674
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -750.903936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.903936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.903936 (E_RNA)
where:
Base-Base interactions energy: -398.576
where: short stacking energy: -218.916
Base-Backbone interact. energy: -1.923
local terms energy: -350.404131
where:
bonds (distance) C4'-P energy: -81.787
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -87.318
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -39.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -661.746024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.746024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.746024 (E_RNA)
where:
Base-Base interactions energy: -355.634
where: short stacking energy: -176.016
Base-Backbone interact. energy: 3.012
local terms energy: -309.124037
where:
bonds (distance) C4'-P energy: -90.085
bonds (distance) P-C4' energy: -87.972
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -553.466509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.466509 (E_RNA)
where:
Base-Base interactions energy: -292.239
where: short stacking energy: -185.294
Base-Backbone interact. energy: 2.301
local terms energy: -263.528487
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -69.809
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -7.083
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: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -395.069766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.069766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.069766 (E_RNA)
where:
Base-Base interactions energy: -145.070
where: short stacking energy: -131.732
Base-Backbone interact. energy: 1.090
local terms energy: -251.089955
where:
bonds (distance) C4'-P energy: -77.969
bonds (distance) P-C4' energy: -81.265
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: 5.350
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1483.674017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.674017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.674017 (E_RNA)
where:
Base-Base interactions energy: -998.083
where: short stacking energy: -467.835
Base-Backbone interact. energy: -3.618
local terms energy: -481.972876
where:
bonds (distance) C4'-P energy: -93.662
bonds (distance) P-C4' energy: -89.198
flat angles C4'-P-C4' energy: -102.685
flat angles P-C4'-P energy: -72.991
tors. eta vs tors. theta energy: -123.437
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1318.662646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.662646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.662646 (E_RNA)
where:
Base-Base interactions energy: -858.959
where: short stacking energy: -411.499
Base-Backbone interact. energy: 3.220
local terms energy: -462.923612
where:
bonds (distance) C4'-P energy: -95.425
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -108.134
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -93.847
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1177.249911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.249911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.249911 (E_RNA)
where:
Base-Base interactions energy: -715.596
where: short stacking energy: -379.180
Base-Backbone interact. energy: 1.504
local terms energy: -463.158060
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -101.043
flat angles C4'-P-C4' energy: -107.360
flat angles P-C4'-P energy: -63.018
tors. eta vs tors. theta energy: -101.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1137.794945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.794945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.794945 (E_RNA)
where:
Base-Base interactions energy: -742.036
where: short stacking energy: -329.336
Base-Backbone interact. energy: -1.072
local terms energy: -394.687566
where:
bonds (distance) C4'-P energy: -93.280
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -92.179
flat angles P-C4'-P energy: -42.801
tors. eta vs tors. theta energy: -77.346
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: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1085.353594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.353594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.353594 (E_RNA)
where:
Base-Base interactions energy: -690.725
where: short stacking energy: -313.474
Base-Backbone interact. energy: -1.724
local terms energy: -392.905462
where:
bonds (distance) C4'-P energy: -90.538
bonds (distance) P-C4' energy: -94.471
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -70.868
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: 24
Temperature: 1.150000
Total energy: -997.455376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.455376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.455376 (E_RNA)
where:
Base-Base interactions energy: -630.340
where: short stacking energy: -277.951
Base-Backbone interact. energy: 1.501
local terms energy: -368.616208
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -93.262
flat angles C4'-P-C4' energy: -79.783
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -54.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -782.440353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.440353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.440353 (E_RNA)
where:
Base-Base interactions energy: -447.767
where: short stacking energy: -240.995
Base-Backbone interact. energy: 2.758
local terms energy: -337.430898
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -98.312
flat angles C4'-P-C4' energy: -86.384
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -726.434024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.434024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.434024 (E_RNA)
where:
Base-Base interactions energy: -409.920
where: short stacking energy: -226.710
Base-Backbone interact. energy: -1.806
local terms energy: -314.708434
where:
bonds (distance) C4'-P energy: -64.556
bonds (distance) P-C4' energy: -79.937
flat angles C4'-P-C4' energy: -90.325
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -32.887
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: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -584.081337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.081337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.081337 (E_RNA)
where:
Base-Base interactions energy: -273.993
where: short stacking energy: -187.901
Base-Backbone interact. energy: -0.188
local terms energy: -309.901157
where:
bonds (distance) C4'-P energy: -67.892
bonds (distance) P-C4' energy: -72.984
flat angles C4'-P-C4' energy: -90.617
flat angles P-C4'-P energy: -62.710
tors. eta vs tors. theta energy: -15.699
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -410.628229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.628229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.628229 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -112.925
Base-Backbone interact. energy: 2.621
local terms energy: -264.804318
where:
bonds (distance) C4'-P energy: -81.517
bonds (distance) P-C4' energy: -82.745
flat angles C4'-P-C4' energy: -68.436
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: 11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1511.817084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.817084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.817084 (E_RNA)
where:
Base-Base interactions energy: -1012.506
where: short stacking energy: -441.341
Base-Backbone interact. energy: -2.470
local terms energy: -496.840653
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -100.933
flat angles C4'-P-C4' energy: -105.513
flat angles P-C4'-P energy: -75.947
tors. eta vs tors. theta energy: -123.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1279.668858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.668858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.668858 (E_RNA)
where:
Base-Base interactions energy: -822.013
where: short stacking energy: -390.730
Base-Backbone interact. energy: -2.437
local terms energy: -455.218962
where:
bonds (distance) C4'-P energy: -90.031
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -109.431
flat angles P-C4'-P energy: -67.284
tors. eta vs tors. theta energy: -98.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1224.616715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.616715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.616715 (E_RNA)
where:
Base-Base interactions energy: -739.252
where: short stacking energy: -400.641
Base-Backbone interact. energy: -0.370
local terms energy: -484.994338
where:
bonds (distance) C4'-P energy: -103.774
bonds (distance) P-C4' energy: -100.885
flat angles C4'-P-C4' energy: -101.427
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -110.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1143.893999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.893999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.893999 (E_RNA)
where:
Base-Base interactions energy: -745.279
where: short stacking energy: -333.601
Base-Backbone interact. energy: -3.233
local terms energy: -395.381797
where:
bonds (distance) C4'-P energy: -83.079
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -93.148
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: -70.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1059.147350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.147350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.147350 (E_RNA)
where:
Base-Base interactions energy: -654.365
where: short stacking energy: -311.126
Base-Backbone interact. energy: -0.586
local terms energy: -404.196356
where:
bonds (distance) C4'-P energy: -90.982
bonds (distance) P-C4' energy: -106.973
flat angles C4'-P-C4' energy: -84.487
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -60.956
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -993.466838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.466838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.466838 (E_RNA)
where:
Base-Base interactions energy: -627.645
where: short stacking energy: -289.278
Base-Backbone interact. energy: -1.942
local terms energy: -363.880157
where:
bonds (distance) C4'-P energy: -85.909
bonds (distance) P-C4' energy: -90.486
flat angles C4'-P-C4' energy: -77.475
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -57.225
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -832.191277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.191277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.191277 (E_RNA)
where:
Base-Base interactions energy: -478.701
where: short stacking energy: -243.035
Base-Backbone interact. energy: -0.373
local terms energy: -353.117612
where:
bonds (distance) C4'-P energy: -90.132
bonds (distance) P-C4' energy: -100.511
flat angles C4'-P-C4' energy: -78.692
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -34.760
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: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -670.087438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.087438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.087438 (E_RNA)
where:
Base-Base interactions energy: -379.825
where: short stacking energy: -207.154
Base-Backbone interact. energy: -1.506
local terms energy: -288.756828
where:
bonds (distance) C4'-P energy: -76.001
bonds (distance) P-C4' energy: -87.036
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -537.127517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.127517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.127517 (E_RNA)
where:
Base-Base interactions energy: -253.773
where: short stacking energy: -135.058
Base-Backbone interact. energy: -2.005
local terms energy: -281.350074
where:
bonds (distance) C4'-P energy: -81.853
bonds (distance) P-C4' energy: -93.461
flat angles C4'-P-C4' energy: -70.716
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -401.747297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.747297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.747297 (E_RNA)
where:
Base-Base interactions energy: -154.254
where: short stacking energy: -99.839
Base-Backbone interact. energy: 1.538
local terms energy: -249.030878
where:
bonds (distance) C4'-P energy: -87.240
bonds (distance) P-C4' energy: -91.928
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: 24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1520.512897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.512897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.512897 (E_RNA)
where:
Base-Base interactions energy: -1007.545
where: short stacking energy: -433.525
Base-Backbone interact. energy: -3.953
local terms energy: -509.015393
where:
bonds (distance) C4'-P energy: -107.965
bonds (distance) P-C4' energy: -101.114
flat angles C4'-P-C4' energy: -113.826
flat angles P-C4'-P energy: -75.002
tors. eta vs tors. theta energy: -111.108
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1311.657566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.657566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.657566 (E_RNA)
where:
Base-Base interactions energy: -847.535
where: short stacking energy: -413.883
Base-Backbone interact. energy: -1.491
local terms energy: -462.631166
where:
bonds (distance) C4'-P energy: -87.624
bonds (distance) P-C4' energy: -94.165
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -76.286
tors. eta vs tors. theta energy: -102.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1236.059102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.059102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.059102 (E_RNA)
where:
Base-Base interactions energy: -778.298
where: short stacking energy: -399.851
Base-Backbone interact. energy: -1.516
local terms energy: -456.245223
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -97.648
flat angles P-C4'-P energy: -60.186
tors. eta vs tors. theta energy: -115.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1128.121345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.121345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.121345 (E_RNA)
where:
Base-Base interactions energy: -723.763
where: short stacking energy: -331.997
Base-Backbone interact. energy: -1.176
local terms energy: -403.182715
where:
bonds (distance) C4'-P energy: -77.240
bonds (distance) P-C4' energy: -86.476
flat angles C4'-P-C4' energy: -105.144
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -72.978
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: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1067.915919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.915919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.915919 (E_RNA)
where:
Base-Base interactions energy: -662.770
where: short stacking energy: -308.899
Base-Backbone interact. energy: 2.596
local terms energy: -407.741326
where:
bonds (distance) C4'-P energy: -89.770
bonds (distance) P-C4' energy: -88.103
flat angles C4'-P-C4' energy: -94.259
flat angles P-C4'-P energy: -70.312
tors. eta vs tors. theta energy: -65.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -945.063729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.063729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.063729 (E_RNA)
where:
Base-Base interactions energy: -556.247
where: short stacking energy: -268.894
Base-Backbone interact. energy: -0.675
local terms energy: -388.141695
where:
bonds (distance) C4'-P energy: -86.961
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -87.411
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -59.262
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: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -905.792090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.792090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.792090 (E_RNA)
where:
Base-Base interactions energy: -529.252
where: short stacking energy: -295.501
Base-Backbone interact. energy: 2.382
local terms energy: -378.922256
where:
bonds (distance) C4'-P energy: -76.435
bonds (distance) P-C4' energy: -91.487
flat angles C4'-P-C4' energy: -94.773
flat angles P-C4'-P energy: -54.564
tors. eta vs tors. theta energy: -61.662
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: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -587.187957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.187957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.187957 (E_RNA)
where:
Base-Base interactions energy: -302.697
where: short stacking energy: -189.655
Base-Backbone interact. energy: 1.574
local terms energy: -286.064566
where:
bonds (distance) C4'-P energy: -85.139
bonds (distance) P-C4' energy: -88.859
flat angles C4'-P-C4' energy: -62.996
flat angles P-C4'-P energy: -45.466
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -551.249753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.249753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.249753 (E_RNA)
where:
Base-Base interactions energy: -266.037
where: short stacking energy: -157.845
Base-Backbone interact. energy: 1.735
local terms energy: -286.948267
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -81.932
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -423.286608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.286608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.286608 (E_RNA)
where:
Base-Base interactions energy: -170.683
where: short stacking energy: -113.550
Base-Backbone interact. energy: -2.105
local terms energy: -250.498952
where:
bonds (distance) C4'-P energy: -76.257
bonds (distance) P-C4' energy: -88.107
flat angles C4'-P-C4' energy: -62.759
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: 22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1518.465021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.465021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.465021 (E_RNA)
where:
Base-Base interactions energy: -1010.060
where: short stacking energy: -469.456
Base-Backbone interact. energy: -4.242
local terms energy: -504.162080
where:
bonds (distance) C4'-P energy: -98.404
bonds (distance) P-C4' energy: -81.332
flat angles C4'-P-C4' energy: -116.703
flat angles P-C4'-P energy: -76.014
tors. eta vs tors. theta energy: -131.709
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: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1326.301981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.301981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.301981 (E_RNA)
where:
Base-Base interactions energy: -874.691
where: short stacking energy: -394.377
Base-Backbone interact. energy: 1.160
local terms energy: -452.770225
where:
bonds (distance) C4'-P energy: -85.189
bonds (distance) P-C4' energy: -101.636
flat angles C4'-P-C4' energy: -98.863
flat angles P-C4'-P energy: -68.864
tors. eta vs tors. theta energy: -98.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1209.350468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.350468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.350468 (E_RNA)
where:
Base-Base interactions energy: -780.904
where: short stacking energy: -384.617
Base-Backbone interact. energy: -1.707
local terms energy: -426.739827
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -99.681
flat angles C4'-P-C4' energy: -90.278
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -94.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1168.341150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.341150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.341150 (E_RNA)
where:
Base-Base interactions energy: -748.901
where: short stacking energy: -360.332
Base-Backbone interact. energy: -2.402
local terms energy: -417.038123
where:
bonds (distance) C4'-P energy: -91.062
bonds (distance) P-C4' energy: -92.353
flat angles C4'-P-C4' energy: -96.901
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -80.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1046.710744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.710744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.710744 (E_RNA)
where:
Base-Base interactions energy: -654.056
where: short stacking energy: -297.679
Base-Backbone interact. energy: 5.097
local terms energy: -397.751751
where:
bonds (distance) C4'-P energy: -97.731
bonds (distance) P-C4' energy: -85.780
flat angles C4'-P-C4' energy: -86.029
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -928.596422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.596422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.596422 (E_RNA)
where:
Base-Base interactions energy: -565.605
where: short stacking energy: -260.568
Base-Backbone interact. energy: -0.805
local terms energy: -362.186279
where:
bonds (distance) C4'-P energy: -91.598
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -96.400
flat angles P-C4'-P energy: -48.437
tors. eta vs tors. theta energy: -40.840
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -902.968216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.968216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.968216 (E_RNA)
where:
Base-Base interactions energy: -535.781
where: short stacking energy: -274.716
Base-Backbone interact. energy: 0.558
local terms energy: -367.745815
where:
bonds (distance) C4'-P energy: -83.381
bonds (distance) P-C4' energy: -84.502
flat angles C4'-P-C4' energy: -89.653
flat angles P-C4'-P energy: -61.917
tors. eta vs tors. theta energy: -48.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -572.428185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.428185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.428185 (E_RNA)
where:
Base-Base interactions energy: -292.581
where: short stacking energy: -166.966
Base-Backbone interact. energy: -3.109
local terms energy: -276.738634
where:
bonds (distance) C4'-P energy: -72.559
bonds (distance) P-C4' energy: -70.357
flat angles C4'-P-C4' energy: -80.439
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: -6.183
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: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -538.849900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.849900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.849900 (E_RNA)
where:
Base-Base interactions energy: -259.859
where: short stacking energy: -161.904
Base-Backbone interact. energy: 1.320
local terms energy: -280.311164
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -75.896
flat angles C4'-P-C4' energy: -63.467
flat angles P-C4'-P energy: -50.301
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -402.902511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.902511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.902511 (E_RNA)
where:
Base-Base interactions energy: -152.155
where: short stacking energy: -140.822
Base-Backbone interact. energy: 1.331
local terms energy: -252.079194
where:
bonds (distance) C4'-P energy: -70.773
bonds (distance) P-C4' energy: -91.272
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: 8.933
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: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1532.137365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.137365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.137365 (E_RNA)
where:
Base-Base interactions energy: -1028.760
where: short stacking energy: -463.164
Base-Backbone interact. energy: 0.074
local terms energy: -503.451497
where:
bonds (distance) C4'-P energy: -107.053
bonds (distance) P-C4' energy: -100.203
flat angles C4'-P-C4' energy: -102.797
flat angles P-C4'-P energy: -62.809
tors. eta vs tors. theta energy: -130.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1306.820232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.820232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.820232 (E_RNA)
where:
Base-Base interactions energy: -843.312
where: short stacking energy: -371.382
Base-Backbone interact. energy: -0.136
local terms energy: -463.372815
where:
bonds (distance) C4'-P energy: -95.843
bonds (distance) P-C4' energy: -92.799
flat angles C4'-P-C4' energy: -107.282
flat angles P-C4'-P energy: -65.859
tors. eta vs tors. theta energy: -101.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1197.281503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.281503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.281503 (E_RNA)
where:
Base-Base interactions energy: -768.101
where: short stacking energy: -365.645
Base-Backbone interact. energy: 0.812
local terms energy: -429.992738
where:
bonds (distance) C4'-P energy: -95.972
bonds (distance) P-C4' energy: -98.839
flat angles C4'-P-C4' energy: -99.559
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -80.179
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1155.708724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.708724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.708724 (E_RNA)
where:
Base-Base interactions energy: -724.530
where: short stacking energy: -345.909
Base-Backbone interact. energy: 0.335
local terms energy: -431.513404
where:
bonds (distance) C4'-P energy: -100.618
bonds (distance) P-C4' energy: -83.213
flat angles C4'-P-C4' energy: -102.213
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -91.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1110.785021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.785021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.785021 (E_RNA)
where:
Base-Base interactions energy: -734.112
where: short stacking energy: -329.354
Base-Backbone interact. energy: -3.368
local terms energy: -373.304974
where:
bonds (distance) C4'-P energy: -68.468
bonds (distance) P-C4' energy: -91.588
flat angles C4'-P-C4' energy: -86.971
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -79.268
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: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -887.515441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.515441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.515441 (E_RNA)
where:
Base-Base interactions energy: -555.844
where: short stacking energy: -280.398
Base-Backbone interact. energy: -0.992
local terms energy: -330.678820
where:
bonds (distance) C4'-P energy: -80.125
bonds (distance) P-C4' energy: -76.135
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -42.954
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -870.910348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.910348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.910348 (E_RNA)
where:
Base-Base interactions energy: -528.317
where: short stacking energy: -250.777
Base-Backbone interact. energy: 4.097
local terms energy: -346.690157
where:
bonds (distance) C4'-P energy: -70.972
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -90.678
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -42.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -649.563465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.563465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.563465 (E_RNA)
where:
Base-Base interactions energy: -333.328
where: short stacking energy: -201.786
Base-Backbone interact. energy: -1.837
local terms energy: -314.398313
where:
bonds (distance) C4'-P energy: -81.591
bonds (distance) P-C4' energy: -82.901
flat angles C4'-P-C4' energy: -78.231
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -29.897
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -461.373576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.373576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.373576 (E_RNA)
where:
Base-Base interactions energy: -195.805
where: short stacking energy: -138.596
Base-Backbone interact. energy: -2.938
local terms energy: -262.630886
where:
bonds (distance) C4'-P energy: -83.759
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -77.200
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -496.110801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.110801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.110801 (E_RNA)
where:
Base-Base interactions energy: -253.415
where: short stacking energy: -139.201
Base-Backbone interact. energy: 2.787
local terms energy: -245.482823
where:
bonds (distance) C4'-P energy: -82.074
bonds (distance) P-C4' energy: -77.815
flat angles C4'-P-C4' energy: -72.204
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: 14.872
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: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1522.538739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.538739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.538739 (E_RNA)
where:
Base-Base interactions energy: -1033.741
where: short stacking energy: -464.084
Base-Backbone interact. energy: -3.308
local terms energy: -485.490597
where:
bonds (distance) C4'-P energy: -96.946
bonds (distance) P-C4' energy: -91.236
flat angles C4'-P-C4' energy: -103.702
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: -128.780
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: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1318.092587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.092587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.092587 (E_RNA)
where:
Base-Base interactions energy: -871.972
where: short stacking energy: -406.534
Base-Backbone interact. energy: -2.521
local terms energy: -443.599226
where:
bonds (distance) C4'-P energy: -91.904
bonds (distance) P-C4' energy: -94.616
flat angles C4'-P-C4' energy: -102.480
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: -91.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1180.531470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.531470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.531470 (E_RNA)
where:
Base-Base interactions energy: -766.810
where: short stacking energy: -355.504
Base-Backbone interact. energy: -1.307
local terms energy: -412.414212
where:
bonds (distance) C4'-P energy: -87.459
bonds (distance) P-C4' energy: -88.399
flat angles C4'-P-C4' energy: -101.968
flat angles P-C4'-P energy: -66.409
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: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1183.947162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.947162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.947162 (E_RNA)
where:
Base-Base interactions energy: -743.260
where: short stacking energy: -376.881
Base-Backbone interact. energy: -0.934
local terms energy: -439.752739
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -84.271
flat angles C4'-P-C4' energy: -105.251
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -89.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1094.132968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.132968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.132968 (E_RNA)
where:
Base-Base interactions energy: -699.156
where: short stacking energy: -317.977
Base-Backbone interact. energy: -1.401
local terms energy: -393.575679
where:
bonds (distance) C4'-P energy: -85.113
bonds (distance) P-C4' energy: -95.975
flat angles C4'-P-C4' energy: -83.352
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -84.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -898.014334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.014334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.014334 (E_RNA)
where:
Base-Base interactions energy: -524.470
where: short stacking energy: -291.990
Base-Backbone interact. energy: -2.754
local terms energy: -370.790384
where:
bonds (distance) C4'-P energy: -78.158
bonds (distance) P-C4' energy: -95.267
flat angles C4'-P-C4' energy: -83.099
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -61.397
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: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -863.920830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.920830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.920830 (E_RNA)
where:
Base-Base interactions energy: -516.396
where: short stacking energy: -264.747
Base-Backbone interact. energy: 0.784
local terms energy: -348.308833
where:
bonds (distance) C4'-P energy: -65.018
bonds (distance) P-C4' energy: -91.737
flat angles C4'-P-C4' energy: -86.056
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -52.020
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -656.882857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.882857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.882857 (E_RNA)
where:
Base-Base interactions energy: -364.922
where: short stacking energy: -223.564
Base-Backbone interact. energy: 3.071
local terms energy: -295.031305
where:
bonds (distance) C4'-P energy: -86.489
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -66.262
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -34.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -500.884842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.884842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.884842 (E_RNA)
where:
Base-Base interactions energy: -230.001
where: short stacking energy: -169.436
Base-Backbone interact. energy: -0.984
local terms energy: -269.900130
where:
bonds (distance) C4'-P energy: -77.385
bonds (distance) P-C4' energy: -52.187
flat angles C4'-P-C4' energy: -74.797
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -17.769
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: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -490.183257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.183257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.183257 (E_RNA)
where:
Base-Base interactions energy: -210.932
where: short stacking energy: -140.092
Base-Backbone interact. energy: -0.610
local terms energy: -278.641873
where:
bonds (distance) C4'-P energy: -90.169
bonds (distance) P-C4' energy: -66.810
flat angles C4'-P-C4' energy: -72.417
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -8.350
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1540.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.650581 (E_RNA)
where:
Base-Base interactions energy: -1034.089
where: short stacking energy: -448.674
Base-Backbone interact. energy: -2.034
local terms energy: -504.527908
where:
bonds (distance) C4'-P energy: -99.410
bonds (distance) P-C4' energy: -97.472
flat angles C4'-P-C4' energy: -110.363
flat angles P-C4'-P energy: -72.588
tors. eta vs tors. theta energy: -124.695
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: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1292.427837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.427837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.427837 (E_RNA)
where:
Base-Base interactions energy: -834.812
where: short stacking energy: -392.612
Base-Backbone interact. energy: -3.286
local terms energy: -454.329762
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -91.013
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -92.990
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1255.308713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.308713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.308713 (E_RNA)
where:
Base-Base interactions energy: -815.560
where: short stacking energy: -387.935
Base-Backbone interact. energy: -0.622
local terms energy: -439.127375
where:
bonds (distance) C4'-P energy: -90.572
bonds (distance) P-C4' energy: -91.385
flat angles C4'-P-C4' energy: -101.478
flat angles P-C4'-P energy: -58.165
tors. eta vs tors. theta energy: -97.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1131.684331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.684331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.684331 (E_RNA)
where:
Base-Base interactions energy: -723.114
where: short stacking energy: -323.819
Base-Backbone interact. energy: -0.049
local terms energy: -408.521631
where:
bonds (distance) C4'-P energy: -84.003
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -97.725
flat angles P-C4'-P energy: -65.133
tors. eta vs tors. theta energy: -68.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1146.477135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.477135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.477135 (E_RNA)
where:
Base-Base interactions energy: -745.358
where: short stacking energy: -368.116
Base-Backbone interact. energy: -0.988
local terms energy: -400.131962
where:
bonds (distance) C4'-P energy: -84.648
bonds (distance) P-C4' energy: -92.744
flat angles C4'-P-C4' energy: -86.182
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -87.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -930.418069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.418069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.418069 (E_RNA)
where:
Base-Base interactions energy: -552.011
where: short stacking energy: -264.095
Base-Backbone interact. energy: -1.161
local terms energy: -377.245353
where:
bonds (distance) C4'-P energy: -88.993
bonds (distance) P-C4' energy: -100.167
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -57.272
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -872.128354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.128354 (E_RNA)
where:
Base-Base interactions energy: -530.031
where: short stacking energy: -253.188
Base-Backbone interact. energy: 1.140
local terms energy: -343.237778
where:
bonds (distance) C4'-P energy: -91.239
bonds (distance) P-C4' energy: -80.390
flat angles C4'-P-C4' energy: -81.554
flat angles P-C4'-P energy: -46.710
tors. eta vs tors. theta energy: -43.344
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -607.414757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.414757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.414757 (E_RNA)
where:
Base-Base interactions energy: -307.248
where: short stacking energy: -199.437
Base-Backbone interact. energy: 4.071
local terms energy: -304.237703
where:
bonds (distance) C4'-P energy: -80.171
bonds (distance) P-C4' energy: -84.983
flat angles C4'-P-C4' energy: -77.833
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -505.095006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.095006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.095006 (E_RNA)
where:
Base-Base interactions energy: -235.701
where: short stacking energy: -139.896
Base-Backbone interact. energy: -1.399
local terms energy: -267.995194
where:
bonds (distance) C4'-P energy: -76.024
bonds (distance) P-C4' energy: -76.509
flat angles C4'-P-C4' energy: -66.211
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: 3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -457.466755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.466755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.466755 (E_RNA)
where:
Base-Base interactions energy: -191.145
where: short stacking energy: -113.596
Base-Backbone interact. energy: -0.613
local terms energy: -265.709369
where:
bonds (distance) C4'-P energy: -79.038
bonds (distance) P-C4' energy: -79.183
flat angles C4'-P-C4' energy: -68.308
flat angles P-C4'-P energy: -34.491
tors. eta vs tors. theta energy: -4.690
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1545.069409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.069409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.069409 (E_RNA)
where:
Base-Base interactions energy: -1043.222
where: short stacking energy: -483.297
Base-Backbone interact. energy: -3.155
local terms energy: -498.692520
where:
bonds (distance) C4'-P energy: -94.140
bonds (distance) P-C4' energy: -103.246
flat angles C4'-P-C4' energy: -113.489
flat angles P-C4'-P energy: -55.948
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1336.869780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.869780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.869780 (E_RNA)
where:
Base-Base interactions energy: -880.941
where: short stacking energy: -410.410
Base-Backbone interact. energy: -3.591
local terms energy: -452.337823
where:
bonds (distance) C4'-P energy: -95.392
bonds (distance) P-C4' energy: -94.989
flat angles C4'-P-C4' energy: -102.126
flat angles P-C4'-P energy: -59.794
tors. eta vs tors. theta energy: -100.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1222.862298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.862298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.862298 (E_RNA)
where:
Base-Base interactions energy: -796.125
where: short stacking energy: -367.813
Base-Backbone interact. energy: -2.877
local terms energy: -423.860786
where:
bonds (distance) C4'-P energy: -85.286
bonds (distance) P-C4' energy: -91.825
flat angles C4'-P-C4' energy: -93.478
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -88.955
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: 31
Temperature: 1.050000
Total energy: -1174.978266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.978266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.978266 (E_RNA)
where:
Base-Base interactions energy: -771.951
where: short stacking energy: -309.575
Base-Backbone interact. energy: -2.137
local terms energy: -400.889635
where:
bonds (distance) C4'-P energy: -81.493
bonds (distance) P-C4' energy: -93.008
flat angles C4'-P-C4' energy: -92.336
flat angles P-C4'-P energy: -57.320
tors. eta vs tors. theta energy: -76.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1090.112450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.112450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.112450 (E_RNA)
where:
Base-Base interactions energy: -707.233
where: short stacking energy: -329.621
Base-Backbone interact. energy: -3.979
local terms energy: -378.899540
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -85.587
flat angles P-C4'-P energy: -51.946
tors. eta vs tors. theta energy: -63.745
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -939.315337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.315337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.315337 (E_RNA)
where:
Base-Base interactions energy: -543.147
where: short stacking energy: -312.866
Base-Backbone interact. energy: -1.679
local terms energy: -394.490219
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -80.533
flat angles C4'-P-C4' energy: -91.680
flat angles P-C4'-P energy: -56.477
tors. eta vs tors. theta energy: -68.937
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -887.458877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.458877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.458877 (E_RNA)
where:
Base-Base interactions energy: -525.611
where: short stacking energy: -288.881
Base-Backbone interact. energy: 0.684
local terms energy: -362.532102
where:
bonds (distance) C4'-P energy: -86.545
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -87.903
flat angles P-C4'-P energy: -57.749
tors. eta vs tors. theta energy: -57.410
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -626.537208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.537208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.537208 (E_RNA)
where:
Base-Base interactions energy: -319.881
where: short stacking energy: -194.541
Base-Backbone interact. energy: -1.059
local terms energy: -305.597370
where:
bonds (distance) C4'-P energy: -79.666
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -80.242
flat angles P-C4'-P energy: -44.922
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -427.771644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.771644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.771644 (E_RNA)
where:
Base-Base interactions energy: -164.488
where: short stacking energy: -157.106
Base-Backbone interact. energy: 6.748
local terms energy: -270.032070
where:
bonds (distance) C4'-P energy: -72.552
bonds (distance) P-C4' energy: -85.733
flat angles C4'-P-C4' energy: -86.578
flat angles P-C4'-P energy: -34.808
tors. eta vs tors. theta energy: 9.639
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -494.982058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.982058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.982058 (E_RNA)
where:
Base-Base interactions energy: -219.674
where: short stacking energy: -122.077
Base-Backbone interact. energy: -1.178
local terms energy: -274.129998
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -94.027
flat angles C4'-P-C4' energy: -58.868
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: 2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1534.330990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.330990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.330990 (E_RNA)
where:
Base-Base interactions energy: -1030.998
where: short stacking energy: -436.294
Base-Backbone interact. energy: -2.935
local terms energy: -500.398040
where:
bonds (distance) C4'-P energy: -100.515
bonds (distance) P-C4' energy: -95.290
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -68.787
tors. eta vs tors. theta energy: -124.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1321.335858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.335858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.335858 (E_RNA)
where:
Base-Base interactions energy: -866.052
where: short stacking energy: -405.734
Base-Backbone interact. energy: -0.929
local terms energy: -454.354883
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -96.828
flat angles C4'-P-C4' energy: -99.579
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -101.136
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: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1250.438439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.438439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.438439 (E_RNA)
where:
Base-Base interactions energy: -812.142
where: short stacking energy: -370.389
Base-Backbone interact. energy: 0.317
local terms energy: -438.613722
where:
bonds (distance) C4'-P energy: -98.405
bonds (distance) P-C4' energy: -95.616
flat angles C4'-P-C4' energy: -88.485
flat angles P-C4'-P energy: -64.370
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1218.168488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.168488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.168488 (E_RNA)
where:
Base-Base interactions energy: -787.457
where: short stacking energy: -349.617
Base-Backbone interact. energy: -0.076
local terms energy: -430.635739
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -93.796
flat angles C4'-P-C4' energy: -105.538
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: -83.715
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1108.969716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.969716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.969716 (E_RNA)
where:
Base-Base interactions energy: -693.127
where: short stacking energy: -284.659
Base-Backbone interact. energy: -3.117
local terms energy: -412.725779
where:
bonds (distance) C4'-P energy: -111.336
bonds (distance) P-C4' energy: -90.684
flat angles C4'-P-C4' energy: -84.869
flat angles P-C4'-P energy: -59.527
tors. eta vs tors. theta energy: -66.309
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: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -970.972997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.972997 (E_RNA)
where:
Base-Base interactions energy: -601.786
where: short stacking energy: -279.413
Base-Backbone interact. energy: -0.742
local terms energy: -368.445360
where:
bonds (distance) C4'-P energy: -81.464
bonds (distance) P-C4' energy: -94.502
flat angles C4'-P-C4' energy: -92.113
flat angles P-C4'-P energy: -49.549
tors. eta vs tors. theta energy: -50.817
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: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -980.977935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.977935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.977935 (E_RNA)
where:
Base-Base interactions energy: -599.758
where: short stacking energy: -284.195
Base-Backbone interact. energy: -0.674
local terms energy: -380.546120
where:
bonds (distance) C4'-P energy: -89.806
bonds (distance) P-C4' energy: -80.804
flat angles C4'-P-C4' energy: -86.757
flat angles P-C4'-P energy: -44.088
tors. eta vs tors. theta energy: -79.090
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -663.436776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.436776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.436776 (E_RNA)
where:
Base-Base interactions energy: -335.517
where: short stacking energy: -185.969
Base-Backbone interact. energy: 1.821
local terms energy: -329.741022
where:
bonds (distance) C4'-P energy: -83.735
bonds (distance) P-C4' energy: -97.435
flat angles C4'-P-C4' energy: -79.173
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -526.200833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.200833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.200833 (E_RNA)
where:
Base-Base interactions energy: -261.594
where: short stacking energy: -150.021
Base-Backbone interact. energy: -0.848
local terms energy: -263.759373
where:
bonds (distance) C4'-P energy: -78.559
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -42.304
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: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -372.549702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.549702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.549702 (E_RNA)
where:
Base-Base interactions energy: -124.810
where: short stacking energy: -100.822
Base-Backbone interact. energy: 0.755
local terms energy: -248.494684
where:
bonds (distance) C4'-P energy: -83.330
bonds (distance) P-C4' energy: -79.546
flat angles C4'-P-C4' energy: -69.173
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: 20.227
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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1547.395893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.395893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.395893 (E_RNA)
where:
Base-Base interactions energy: -1049.816
where: short stacking energy: -479.501
Base-Backbone interact. energy: -4.485
local terms energy: -493.094266
where:
bonds (distance) C4'-P energy: -93.194
bonds (distance) P-C4' energy: -97.076
flat angles C4'-P-C4' energy: -109.914
flat angles P-C4'-P energy: -64.236
tors. eta vs tors. theta energy: -128.674
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1348.226944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.226944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.226944 (E_RNA)
where:
Base-Base interactions energy: -886.826
where: short stacking energy: -418.749
Base-Backbone interact. energy: -1.728
local terms energy: -459.672961
where:
bonds (distance) C4'-P energy: -85.627
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -99.593
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -113.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1258.200813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.200813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.200813 (E_RNA)
where:
Base-Base interactions energy: -821.129
where: short stacking energy: -410.801
Base-Backbone interact. energy: 0.038
local terms energy: -437.110431
where:
bonds (distance) C4'-P energy: -84.183
bonds (distance) P-C4' energy: -89.804
flat angles C4'-P-C4' energy: -98.883
flat angles P-C4'-P energy: -57.068
tors. eta vs tors. theta energy: -107.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1215.207067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.207067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.207067 (E_RNA)
where:
Base-Base interactions energy: -802.378
where: short stacking energy: -363.373
Base-Backbone interact. energy: -1.647
local terms energy: -411.182290
where:
bonds (distance) C4'-P energy: -81.303
bonds (distance) P-C4' energy: -91.105
flat angles C4'-P-C4' energy: -103.648
flat angles P-C4'-P energy: -51.242
tors. eta vs tors. theta energy: -83.885
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: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1099.279485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.279485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.279485 (E_RNA)
where:
Base-Base interactions energy: -695.234
where: short stacking energy: -312.497
Base-Backbone interact. energy: -1.289
local terms energy: -402.756820
where:
bonds (distance) C4'-P energy: -79.626
bonds (distance) P-C4' energy: -96.943
flat angles C4'-P-C4' energy: -94.605
flat angles P-C4'-P energy: -63.768
tors. eta vs tors. theta energy: -67.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1021.905758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.905758 (E_RNA)
where:
Base-Base interactions energy: -649.020
where: short stacking energy: -313.430
Base-Backbone interact. energy: -3.498
local terms energy: -369.387730
where:
bonds (distance) C4'-P energy: -81.964
bonds (distance) P-C4' energy: -70.471
flat angles C4'-P-C4' energy: -89.662
flat angles P-C4'-P energy: -56.473
tors. eta vs tors. theta energy: -70.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -997.226075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.226075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.226075 (E_RNA)
where:
Base-Base interactions energy: -606.050
where: short stacking energy: -280.954
Base-Backbone interact. energy: -1.403
local terms energy: -389.773875
where:
bonds (distance) C4'-P energy: -83.401
bonds (distance) P-C4' energy: -99.162
flat angles C4'-P-C4' energy: -82.257
flat angles P-C4'-P energy: -57.319
tors. eta vs tors. theta energy: -67.636
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: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -620.888118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.888118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.888118 (E_RNA)
where:
Base-Base interactions energy: -317.194
where: short stacking energy: -171.945
Base-Backbone interact. energy: 9.701
local terms energy: -313.395574
where:
bonds (distance) C4'-P energy: -78.808
bonds (distance) P-C4' energy: -87.180
flat angles C4'-P-C4' energy: -80.412
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -573.547123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.547123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.547123 (E_RNA)
where:
Base-Base interactions energy: -289.786
where: short stacking energy: -175.386
Base-Backbone interact. energy: 2.084
local terms energy: -285.845117
where:
bonds (distance) C4'-P energy: -71.123
bonds (distance) P-C4' energy: -92.457
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -11.249
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: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -374.143318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.143318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.143318 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -110.988
Base-Backbone interact. energy: -0.733
local terms energy: -250.204522
where:
bonds (distance) C4'-P energy: -72.086
bonds (distance) P-C4' energy: -86.107
flat angles C4'-P-C4' energy: -64.844
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: 12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1541.894896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.894896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.894896 (E_RNA)
where:
Base-Base interactions energy: -1029.084
where: short stacking energy: -452.810
Base-Backbone interact. energy: -3.516
local terms energy: -509.295061
where:
bonds (distance) C4'-P energy: -96.621
bonds (distance) P-C4' energy: -101.347
flat angles C4'-P-C4' energy: -111.092
flat angles P-C4'-P energy: -70.109
tors. eta vs tors. theta energy: -130.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1358.401456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.401456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.401456 (E_RNA)
where:
Base-Base interactions energy: -888.647
where: short stacking energy: -386.957
Base-Backbone interact. energy: -2.091
local terms energy: -467.664062
where:
bonds (distance) C4'-P energy: -98.669
bonds (distance) P-C4' energy: -104.027
flat angles C4'-P-C4' energy: -95.717
flat angles P-C4'-P energy: -64.923
tors. eta vs tors. theta energy: -104.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1247.368776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.368776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.368776 (E_RNA)
where:
Base-Base interactions energy: -787.538
where: short stacking energy: -365.641
Base-Backbone interact. energy: -3.241
local terms energy: -456.589948
where:
bonds (distance) C4'-P energy: -97.603
bonds (distance) P-C4' energy: -99.493
flat angles C4'-P-C4' energy: -102.586
flat angles P-C4'-P energy: -61.906
tors. eta vs tors. theta energy: -95.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1181.092452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.092452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.092452 (E_RNA)
where:
Base-Base interactions energy: -768.733
where: short stacking energy: -326.142
Base-Backbone interact. energy: 2.247
local terms energy: -414.606077
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -96.794
flat angles P-C4'-P energy: -45.910
tors. eta vs tors. theta energy: -63.465
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: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1102.365214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.365214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.365214 (E_RNA)
where:
Base-Base interactions energy: -699.536
where: short stacking energy: -319.658
Base-Backbone interact. energy: 1.739
local terms energy: -404.568379
where:
bonds (distance) C4'-P energy: -96.461
bonds (distance) P-C4' energy: -94.031
flat angles C4'-P-C4' energy: -95.255
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -66.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1144.193316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.193316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.193316 (E_RNA)
where:
Base-Base interactions energy: -745.911
where: short stacking energy: -347.443
Base-Backbone interact. energy: -1.992
local terms energy: -396.290221
where:
bonds (distance) C4'-P energy: -83.432
bonds (distance) P-C4' energy: -92.780
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -88.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1039.164226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.164226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.164226 (E_RNA)
where:
Base-Base interactions energy: -663.641
where: short stacking energy: -287.652
Base-Backbone interact. energy: -0.232
local terms energy: -375.291281
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -90.588
flat angles P-C4'-P energy: -53.517
tors. eta vs tors. theta energy: -69.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -621.935194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.935194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.935194 (E_RNA)
where:
Base-Base interactions energy: -306.608
where: short stacking energy: -185.963
Base-Backbone interact. energy: 2.185
local terms energy: -317.512235
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -80.165
flat angles C4'-P-C4' energy: -79.984
flat angles P-C4'-P energy: -52.281
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -611.134320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.134320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.134320 (E_RNA)
where:
Base-Base interactions energy: -313.045
where: short stacking energy: -164.681
Base-Backbone interact. energy: 0.643
local terms energy: -298.732240
where:
bonds (distance) C4'-P energy: -78.408
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -54.577
tors. eta vs tors. theta energy: -2.554
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: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -423.522427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.522427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.522427 (E_RNA)
where:
Base-Base interactions energy: -175.486
where: short stacking energy: -126.772
Base-Backbone interact. energy: -3.149
local terms energy: -244.887336
where:
bonds (distance) C4'-P energy: -72.683
bonds (distance) P-C4' energy: -66.267
flat angles C4'-P-C4' energy: -73.247
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: 8.292
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: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1579.032671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.032671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.032671 (E_RNA)
where:
Base-Base interactions energy: -1089.015
where: short stacking energy: -478.907
Base-Backbone interact. energy: -2.885
local terms energy: -487.131909
where:
bonds (distance) C4'-P energy: -88.345
bonds (distance) P-C4' energy: -102.857
flat angles C4'-P-C4' energy: -103.748
flat angles P-C4'-P energy: -58.642
tors. eta vs tors. theta energy: -133.540
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: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1337.306271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.306271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.306271 (E_RNA)
where:
Base-Base interactions energy: -885.887
where: short stacking energy: -406.572
Base-Backbone interact. energy: -3.448
local terms energy: -447.971640
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -86.253
flat angles C4'-P-C4' energy: -92.255
flat angles P-C4'-P energy: -60.849
tors. eta vs tors. theta energy: -114.516
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1230.348942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.348942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.348942 (E_RNA)
where:
Base-Base interactions energy: -784.656
where: short stacking energy: -369.167
Base-Backbone interact. energy: -0.797
local terms energy: -444.896032
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -95.192
flat angles C4'-P-C4' energy: -97.544
flat angles P-C4'-P energy: -60.435
tors. eta vs tors. theta energy: -95.065
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1212.766497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.766497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.766497 (E_RNA)
where:
Base-Base interactions energy: -795.379
where: short stacking energy: -384.621
Base-Backbone interact. energy: -0.299
local terms energy: -417.087890
where:
bonds (distance) C4'-P energy: -78.142
bonds (distance) P-C4' energy: -99.590
flat angles C4'-P-C4' energy: -91.555
flat angles P-C4'-P energy: -62.380
tors. eta vs tors. theta energy: -85.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1131.470460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.470460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.470460 (E_RNA)
where:
Base-Base interactions energy: -719.890
where: short stacking energy: -280.835
Base-Backbone interact. energy: -3.468
local terms energy: -408.111756
where:
bonds (distance) C4'-P energy: -88.867
bonds (distance) P-C4' energy: -96.061
flat angles C4'-P-C4' energy: -99.425
flat angles P-C4'-P energy: -65.053
tors. eta vs tors. theta energy: -58.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1114.261561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.261561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.261561 (E_RNA)
where:
Base-Base interactions energy: -725.666
where: short stacking energy: -347.817
Base-Backbone interact. energy: 1.677
local terms energy: -390.272928
where:
bonds (distance) C4'-P energy: -72.976
bonds (distance) P-C4' energy: -70.517
flat angles C4'-P-C4' energy: -100.499
flat angles P-C4'-P energy: -60.936
tors. eta vs tors. theta energy: -85.345
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: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -989.723836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.723836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.723836 (E_RNA)
where:
Base-Base interactions energy: -642.579
where: short stacking energy: -289.750
Base-Backbone interact. energy: -2.794
local terms energy: -344.351060
where:
bonds (distance) C4'-P energy: -87.372
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -67.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -635.407912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.407912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.407912 (E_RNA)
where:
Base-Base interactions energy: -313.965
where: short stacking energy: -167.053
Base-Backbone interact. energy: 2.479
local terms energy: -323.921623
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -98.851
flat angles C4'-P-C4' energy: -70.604
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -12.152
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -605.254809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.254809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.254809 (E_RNA)
where:
Base-Base interactions energy: -335.307
where: short stacking energy: -180.976
Base-Backbone interact. energy: -0.359
local terms energy: -269.589274
where:
bonds (distance) C4'-P energy: -70.557
bonds (distance) P-C4' energy: -81.760
flat angles C4'-P-C4' energy: -75.205
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -390.189375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.189375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.189375 (E_RNA)
where:
Base-Base interactions energy: -159.831
where: short stacking energy: -144.356
Base-Backbone interact. energy: 4.699
local terms energy: -235.057427
where:
bonds (distance) C4'-P energy: -75.958
bonds (distance) P-C4' energy: -77.548
flat angles C4'-P-C4' energy: -48.842
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: 12.689
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: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1597.290860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.290860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.290860 (E_RNA)
where:
Base-Base interactions energy: -1078.216
where: short stacking energy: -485.148
Base-Backbone interact. energy: -3.057
local terms energy: -516.018075
where:
bonds (distance) C4'-P energy: -104.727
bonds (distance) P-C4' energy: -92.877
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -70.632
tors. eta vs tors. theta energy: -136.704
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1332.237742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.237742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.237742 (E_RNA)
where:
Base-Base interactions energy: -854.809
where: short stacking energy: -414.769
Base-Backbone interact. energy: -2.228
local terms energy: -475.201249
where:
bonds (distance) C4'-P energy: -95.774
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -70.999
tors. eta vs tors. theta energy: -115.310
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1262.674750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.674750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.674750 (E_RNA)
where:
Base-Base interactions energy: -821.324
where: short stacking energy: -372.108
Base-Backbone interact. energy: -1.284
local terms energy: -440.066740
where:
bonds (distance) C4'-P energy: -86.884
bonds (distance) P-C4' energy: -105.341
flat angles C4'-P-C4' energy: -100.148
flat angles P-C4'-P energy: -55.671
tors. eta vs tors. theta energy: -92.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1249.555902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.555902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.555902 (E_RNA)
where:
Base-Base interactions energy: -834.354
where: short stacking energy: -375.351
Base-Backbone interact. energy: -1.688
local terms energy: -413.514012
where:
bonds (distance) C4'-P energy: -89.458
bonds (distance) P-C4' energy: -92.633
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -52.381
tors. eta vs tors. theta energy: -84.579
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1200.651085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.651085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.651085 (E_RNA)
where:
Base-Base interactions energy: -783.887
where: short stacking energy: -365.412
Base-Backbone interact. energy: -0.909
local terms energy: -415.854924
where:
bonds (distance) C4'-P energy: -84.837
bonds (distance) P-C4' energy: -87.845
flat angles C4'-P-C4' energy: -97.914
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: -84.300
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: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1089.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.696894 (E_RNA)
where:
Base-Base interactions energy: -735.507
where: short stacking energy: -283.796
Base-Backbone interact. energy: -2.527
local terms energy: -351.662810
where:
bonds (distance) C4'-P energy: -82.228
bonds (distance) P-C4' energy: -86.616
flat angles C4'-P-C4' energy: -87.674
flat angles P-C4'-P energy: -47.164
tors. eta vs tors. theta energy: -47.981
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: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -935.394912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.394912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.394912 (E_RNA)
where:
Base-Base interactions energy: -569.485
where: short stacking energy: -273.055
Base-Backbone interact. energy: -2.142
local terms energy: -363.768000
where:
bonds (distance) C4'-P energy: -84.042
bonds (distance) P-C4' energy: -74.348
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -57.925
tors. eta vs tors. theta energy: -67.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -671.082188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.082188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.082188 (E_RNA)
where:
Base-Base interactions energy: -386.848
where: short stacking energy: -206.872
Base-Backbone interact. energy: -0.212
local terms energy: -284.022182
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -73.807
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: -12.921
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: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -551.757224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.757224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.757224 (E_RNA)
where:
Base-Base interactions energy: -281.814
where: short stacking energy: -158.160
Base-Backbone interact. energy: -2.385
local terms energy: -267.559014
where:
bonds (distance) C4'-P energy: -88.840
bonds (distance) P-C4' energy: -85.022
flat angles C4'-P-C4' energy: -59.009
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: 4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -403.330887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.330887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.330887 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -120.579
Base-Backbone interact. energy: 7.793
local terms energy: -270.947465
where:
bonds (distance) C4'-P energy: -79.678
bonds (distance) P-C4' energy: -89.648
flat angles C4'-P-C4' energy: -77.894
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: 9.654
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: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1632.361045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.361045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.361045 (E_RNA)
where:
Base-Base interactions energy: -1135.936
where: short stacking energy: -485.221
Base-Backbone interact. energy: -3.176
local terms energy: -493.249119
where:
bonds (distance) C4'-P energy: -94.801
bonds (distance) P-C4' energy: -91.042
flat angles C4'-P-C4' energy: -102.719
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -144.056
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: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1362.588848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.588848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.588848 (E_RNA)
where:
Base-Base interactions energy: -887.255
where: short stacking energy: -399.459
Base-Backbone interact. energy: -5.604
local terms energy: -469.730397
where:
bonds (distance) C4'-P energy: -96.054
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -99.374
flat angles P-C4'-P energy: -65.335
tors. eta vs tors. theta energy: -104.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1282.447368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.447368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.447368 (E_RNA)
where:
Base-Base interactions energy: -828.523
where: short stacking energy: -371.655
Base-Backbone interact. energy: -1.631
local terms energy: -452.292501
where:
bonds (distance) C4'-P energy: -92.833
bonds (distance) P-C4' energy: -98.584
flat angles C4'-P-C4' energy: -106.501
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -94.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1260.109509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.109509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.109509 (E_RNA)
where:
Base-Base interactions energy: -837.954
where: short stacking energy: -364.995
Base-Backbone interact. energy: -0.074
local terms energy: -422.080781
where:
bonds (distance) C4'-P energy: -88.106
bonds (distance) P-C4' energy: -89.616
flat angles C4'-P-C4' energy: -95.071
flat angles P-C4'-P energy: -61.023
tors. eta vs tors. theta energy: -88.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1221.586246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.586246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.586246 (E_RNA)
where:
Base-Base interactions energy: -801.925
where: short stacking energy: -357.027
Base-Backbone interact. energy: -3.628
local terms energy: -416.033902
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -93.829
flat angles C4'-P-C4' energy: -97.219
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -82.642
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: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1107.233934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.233934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.233934 (E_RNA)
where:
Base-Base interactions energy: -715.103
where: short stacking energy: -317.266
Base-Backbone interact. energy: -0.340
local terms energy: -391.790635
where:
bonds (distance) C4'-P energy: -87.802
bonds (distance) P-C4' energy: -85.945
flat angles C4'-P-C4' energy: -96.664
flat angles P-C4'-P energy: -56.579
tors. eta vs tors. theta energy: -64.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -948.037582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.037582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.037582 (E_RNA)
where:
Base-Base interactions energy: -547.882
where: short stacking energy: -271.628
Base-Backbone interact. energy: 1.270
local terms energy: -401.425318
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -97.784
flat angles C4'-P-C4' energy: -92.004
flat angles P-C4'-P energy: -57.306
tors. eta vs tors. theta energy: -55.517
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -702.849289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.849289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.849289 (E_RNA)
where:
Base-Base interactions energy: -374.133
where: short stacking energy: -206.163
Base-Backbone interact. energy: 2.630
local terms energy: -331.346122
where:
bonds (distance) C4'-P energy: -78.868
bonds (distance) P-C4' energy: -79.885
flat angles C4'-P-C4' energy: -94.781
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -526.022061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.022061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.022061 (E_RNA)
where:
Base-Base interactions energy: -234.749
where: short stacking energy: -139.500
Base-Backbone interact. energy: 7.855
local terms energy: -299.128288
where:
bonds (distance) C4'-P energy: -79.885
bonds (distance) P-C4' energy: -71.244
flat angles C4'-P-C4' energy: -91.211
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -12.237
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: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -391.985178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.985178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.985178 (E_RNA)
where:
Base-Base interactions energy: -157.795
where: short stacking energy: -135.921
Base-Backbone interact. energy: 3.972
local terms energy: -238.162424
where:
bonds (distance) C4'-P energy: -75.602
bonds (distance) P-C4' energy: -75.151
flat angles C4'-P-C4' energy: -74.835
flat angles P-C4'-P energy: -34.985
tors. eta vs tors. theta energy: 22.410
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: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1643.078341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.078341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.078341 (E_RNA)
where:
Base-Base interactions energy: -1126.155
where: short stacking energy: -480.321
Base-Backbone interact. energy: -0.764
local terms energy: -516.159069
where:
bonds (distance) C4'-P energy: -100.257
bonds (distance) P-C4' energy: -98.055
flat angles C4'-P-C4' energy: -110.158
flat angles P-C4'-P energy: -72.305
tors. eta vs tors. theta energy: -135.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1327.031081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.031081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.031081 (E_RNA)
where:
Base-Base interactions energy: -864.642
where: short stacking energy: -389.719
Base-Backbone interact. energy: -1.891
local terms energy: -460.498594
where:
bonds (distance) C4'-P energy: -96.776
bonds (distance) P-C4' energy: -100.271
flat angles C4'-P-C4' energy: -107.236
flat angles P-C4'-P energy: -74.640
tors. eta vs tors. theta energy: -81.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1350.582734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.582734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.582734 (E_RNA)
where:
Base-Base interactions energy: -895.075
where: short stacking energy: -400.392
Base-Backbone interact. energy: -0.663
local terms energy: -454.844984
where:
bonds (distance) C4'-P energy: -96.646
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -99.158
flat angles P-C4'-P energy: -73.343
tors. eta vs tors. theta energy: -97.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1209.469131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.469131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.469131 (E_RNA)
where:
Base-Base interactions energy: -774.463
where: short stacking energy: -346.771
Base-Backbone interact. energy: 0.324
local terms energy: -435.330381
where:
bonds (distance) C4'-P energy: -90.874
bonds (distance) P-C4' energy: -93.069
flat angles C4'-P-C4' energy: -99.740
flat angles P-C4'-P energy: -59.073
tors. eta vs tors. theta energy: -92.575
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: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1242.681575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.681575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.681575 (E_RNA)
where:
Base-Base interactions energy: -815.377
where: short stacking energy: -365.191
Base-Backbone interact. energy: -3.727
local terms energy: -423.578058
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -79.875
flat angles C4'-P-C4' energy: -98.999
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -83.578
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: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1170.150309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.150309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.150309 (E_RNA)
where:
Base-Base interactions energy: -796.649
where: short stacking energy: -330.056
Base-Backbone interact. energy: -2.429
local terms energy: -371.072996
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -94.676
flat angles C4'-P-C4' energy: -83.718
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -72.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -954.079027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.079027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.079027 (E_RNA)
where:
Base-Base interactions energy: -580.409
where: short stacking energy: -274.066
Base-Backbone interact. energy: -3.169
local terms energy: -370.501107
where:
bonds (distance) C4'-P energy: -100.867
bonds (distance) P-C4' energy: -83.985
flat angles C4'-P-C4' energy: -71.423
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: -63.234
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: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -711.201209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.201209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.201209 (E_RNA)
where:
Base-Base interactions energy: -395.513
where: short stacking energy: -211.686
Base-Backbone interact. energy: 5.506
local terms energy: -321.194383
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -72.909
flat angles C4'-P-C4' energy: -77.781
flat angles P-C4'-P energy: -58.962
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -508.858456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.858456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.858456 (E_RNA)
where:
Base-Base interactions energy: -217.783
where: short stacking energy: -167.730
Base-Backbone interact. energy: -2.249
local terms energy: -288.826378
where:
bonds (distance) C4'-P energy: -81.745
bonds (distance) P-C4' energy: -83.668
flat angles C4'-P-C4' energy: -71.411
flat angles P-C4'-P energy: -48.327
tors. eta vs tors. theta energy: -3.675
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -400.768781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.768781 (E_RNA)
where:
Base-Base interactions energy: -137.004
where: short stacking energy: -111.709
Base-Backbone interact. energy: 1.555
local terms energy: -265.319632
where:
bonds (distance) C4'-P energy: -79.968
bonds (distance) P-C4' energy: -83.847
flat angles C4'-P-C4' energy: -71.084
flat angles P-C4'-P energy: -32.277
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1631.086455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.086455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.086455 (E_RNA)
where:
Base-Base interactions energy: -1111.663
where: short stacking energy: -487.860
Base-Backbone interact. energy: -2.507
local terms energy: -516.916329
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -103.284
flat angles C4'-P-C4' energy: -104.888
flat angles P-C4'-P energy: -67.865
tors. eta vs tors. theta energy: -136.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1404.693352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.693352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.693352 (E_RNA)
where:
Base-Base interactions energy: -956.306
where: short stacking energy: -394.601
Base-Backbone interact. energy: -0.209
local terms energy: -448.178463
where:
bonds (distance) C4'-P energy: -89.865
bonds (distance) P-C4' energy: -94.955
flat angles C4'-P-C4' energy: -100.188
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -96.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1333.844861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.844861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.844861 (E_RNA)
where:
Base-Base interactions energy: -902.581
where: short stacking energy: -403.399
Base-Backbone interact. energy: 0.579
local terms energy: -431.842728
where:
bonds (distance) C4'-P energy: -85.495
bonds (distance) P-C4' energy: -87.863
flat angles C4'-P-C4' energy: -100.572
flat angles P-C4'-P energy: -59.529
tors. eta vs tors. theta energy: -98.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1222.602478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.602478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.602478 (E_RNA)
where:
Base-Base interactions energy: -794.989
where: short stacking energy: -357.680
Base-Backbone interact. energy: -1.864
local terms energy: -425.749182
where:
bonds (distance) C4'-P energy: -89.873
bonds (distance) P-C4' energy: -100.824
flat angles C4'-P-C4' energy: -95.958
flat angles P-C4'-P energy: -51.915
tors. eta vs tors. theta energy: -87.179
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: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1246.576542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.576542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.576542 (E_RNA)
where:
Base-Base interactions energy: -833.009
where: short stacking energy: -378.346
Base-Backbone interact. energy: -1.906
local terms energy: -411.661675
where:
bonds (distance) C4'-P energy: -79.677
bonds (distance) P-C4' energy: -83.544
flat angles C4'-P-C4' energy: -94.174
flat angles P-C4'-P energy: -63.466
tors. eta vs tors. theta energy: -90.801
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: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1184.122886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.122886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.122886 (E_RNA)
where:
Base-Base interactions energy: -809.218
where: short stacking energy: -325.567
Base-Backbone interact. energy: -0.017
local terms energy: -374.887543
where:
bonds (distance) C4'-P energy: -72.272
bonds (distance) P-C4' energy: -80.312
flat angles C4'-P-C4' energy: -98.897
flat angles P-C4'-P energy: -52.884
tors. eta vs tors. theta energy: -70.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -899.281106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.281106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.281106 (E_RNA)
where:
Base-Base interactions energy: -531.548
where: short stacking energy: -268.618
Base-Backbone interact. energy: -1.505
local terms energy: -366.228134
where:
bonds (distance) C4'-P energy: -87.526
bonds (distance) P-C4' energy: -84.406
flat angles C4'-P-C4' energy: -90.661
flat angles P-C4'-P energy: -47.660
tors. eta vs tors. theta energy: -55.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -700.237287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.237287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.237287 (E_RNA)
where:
Base-Base interactions energy: -398.570
where: short stacking energy: -211.301
Base-Backbone interact. energy: 0.053
local terms energy: -301.720121
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -73.879
flat angles C4'-P-C4' energy: -84.441
flat angles P-C4'-P energy: -58.211
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -527.551771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.551771 (E_RNA)
where:
Base-Base interactions energy: -235.096
where: short stacking energy: -154.638
Base-Backbone interact. energy: 4.668
local terms energy: -297.124425
where:
bonds (distance) C4'-P energy: -86.563
bonds (distance) P-C4' energy: -85.615
flat angles C4'-P-C4' energy: -86.909
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: 4.989
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: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -379.990384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.990384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.990384 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -88.782
Base-Backbone interact. energy: 0.576
local terms energy: -237.232740
where:
bonds (distance) C4'-P energy: -65.895
bonds (distance) P-C4' energy: -75.334
flat angles C4'-P-C4' energy: -74.313
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: 18.214
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1623.236518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.236518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.236518 (E_RNA)
where:
Base-Base interactions energy: -1110.704
where: short stacking energy: -470.624
Base-Backbone interact. energy: -3.582
local terms energy: -508.951278
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -109.519
flat angles P-C4'-P energy: -71.065
tors. eta vs tors. theta energy: -132.109
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1420.263515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.263515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.263515 (E_RNA)
where:
Base-Base interactions energy: -968.106
where: short stacking energy: -410.754
Base-Backbone interact. energy: -3.836
local terms energy: -448.320955
where:
bonds (distance) C4'-P energy: -84.943
bonds (distance) P-C4' energy: -95.999
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -57.215
tors. eta vs tors. theta energy: -102.347
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1341.839621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.839621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.839621 (E_RNA)
where:
Base-Base interactions energy: -913.829
where: short stacking energy: -382.495
Base-Backbone interact. energy: -3.391
local terms energy: -424.619609
where:
bonds (distance) C4'-P energy: -80.602
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -100.823
flat angles P-C4'-P energy: -53.042
tors. eta vs tors. theta energy: -97.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1256.122467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.122467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.122467 (E_RNA)
where:
Base-Base interactions energy: -814.979
where: short stacking energy: -404.720
Base-Backbone interact. energy: -4.058
local terms energy: -437.085292
where:
bonds (distance) C4'-P energy: -77.359
bonds (distance) P-C4' energy: -79.516
flat angles C4'-P-C4' energy: -98.561
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -112.603
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: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1273.218458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.218458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.218458 (E_RNA)
where:
Base-Base interactions energy: -867.722
where: short stacking energy: -372.534
Base-Backbone interact. energy: -1.516
local terms energy: -403.979968
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -77.719
flat angles C4'-P-C4' energy: -101.772
flat angles P-C4'-P energy: -61.193
tors. eta vs tors. theta energy: -74.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1210.408013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.408013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.408013 (E_RNA)
where:
Base-Base interactions energy: -825.960
where: short stacking energy: -349.013
Base-Backbone interact. energy: 0.342
local terms energy: -384.790249
where:
bonds (distance) C4'-P energy: -70.428
bonds (distance) P-C4' energy: -83.617
flat angles C4'-P-C4' energy: -87.536
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: -94.674
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: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -808.416011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.416011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.416011 (E_RNA)
where:
Base-Base interactions energy: -464.060
where: short stacking energy: -247.006
Base-Backbone interact. energy: 2.434
local terms energy: -346.790322
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -82.800
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -51.347
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -721.099576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.099576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.099576 (E_RNA)
where:
Base-Base interactions energy: -426.444
where: short stacking energy: -193.131
Base-Backbone interact. energy: -2.938
local terms energy: -291.717510
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -80.130
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: -16.737
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: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -551.853713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.853713 (E_RNA)
where:
Base-Base interactions energy: -260.693
where: short stacking energy: -152.710
Base-Backbone interact. energy: 5.650
local terms energy: -296.810815
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -96.394
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: 4.417
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: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -395.273320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.273320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.273320 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -101.127
Base-Backbone interact. energy: -1.468
local terms energy: -250.683103
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -79.764
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: 23.779
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: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1602.088835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.088835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.088835 (E_RNA)
where:
Base-Base interactions energy: -1095.665
where: short stacking energy: -471.671
Base-Backbone interact. energy: -0.936
local terms energy: -505.487799
where:
bonds (distance) C4'-P energy: -88.550
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -113.031
flat angles P-C4'-P energy: -63.938
tors. eta vs tors. theta energy: -136.340
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1440.847579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.847579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.847579 (E_RNA)
where:
Base-Base interactions energy: -983.506
where: short stacking energy: -428.539
Base-Backbone interact. energy: -0.684
local terms energy: -456.658388
where:
bonds (distance) C4'-P energy: -95.641
bonds (distance) P-C4' energy: -89.914
flat angles C4'-P-C4' energy: -102.848
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -102.526
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1352.669629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.669629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.669629 (E_RNA)
where:
Base-Base interactions energy: -873.693
where: short stacking energy: -420.356
Base-Backbone interact. energy: -2.179
local terms energy: -476.797141
where:
bonds (distance) C4'-P energy: -84.936
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -109.993
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -116.713
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1314.870079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.870079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.870079 (E_RNA)
where:
Base-Base interactions energy: -896.791
where: short stacking energy: -367.633
Base-Backbone interact. energy: -1.697
local terms energy: -416.381684
where:
bonds (distance) C4'-P energy: -86.535
bonds (distance) P-C4' energy: -101.026
flat angles C4'-P-C4' energy: -103.954
flat angles P-C4'-P energy: -51.629
tors. eta vs tors. theta energy: -73.238
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: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1165.347393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.347393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.347393 (E_RNA)
where:
Base-Base interactions energy: -760.800
where: short stacking energy: -357.313
Base-Backbone interact. energy: 0.585
local terms energy: -405.132700
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -80.126
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: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1251.567102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.567102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.567102 (E_RNA)
where:
Base-Base interactions energy: -822.685
where: short stacking energy: -365.710
Base-Backbone interact. energy: -0.634
local terms energy: -428.248193
where:
bonds (distance) C4'-P energy: -94.252
bonds (distance) P-C4' energy: -94.447
flat angles C4'-P-C4' energy: -93.506
flat angles P-C4'-P energy: -59.799
tors. eta vs tors. theta energy: -86.245
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: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -807.633585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.633585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.633585 (E_RNA)
where:
Base-Base interactions energy: -478.165
where: short stacking energy: -266.497
Base-Backbone interact. energy: 2.848
local terms energy: -332.316232
where:
bonds (distance) C4'-P energy: -76.991
bonds (distance) P-C4' energy: -77.397
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -48.898
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: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -736.958232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.958232 (E_RNA)
where:
Base-Base interactions energy: -425.751
where: short stacking energy: -205.633
Base-Backbone interact. energy: -1.522
local terms energy: -309.684910
where:
bonds (distance) C4'-P energy: -68.563
bonds (distance) P-C4' energy: -85.164
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -574.717902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.717902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.717902 (E_RNA)
where:
Base-Base interactions energy: -310.596
where: short stacking energy: -168.786
Base-Backbone interact. energy: -1.750
local terms energy: -262.371720
where:
bonds (distance) C4'-P energy: -80.101
bonds (distance) P-C4' energy: -77.270
flat angles C4'-P-C4' energy: -63.193
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -420.598880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.598880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.598880 (E_RNA)
where:
Base-Base interactions energy: -188.464
where: short stacking energy: -130.983
Base-Backbone interact. energy: 5.198
local terms energy: -237.332335
where:
bonds (distance) C4'-P energy: -76.323
bonds (distance) P-C4' energy: -82.682
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: 19.559
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: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1624.163962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.163962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.163962 (E_RNA)
where:
Base-Base interactions energy: -1114.773
where: short stacking energy: -491.464
Base-Backbone interact. energy: 2.883
local terms energy: -512.273444
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -95.134
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -70.317
tors. eta vs tors. theta energy: -139.532
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: 42
Temperature: 0.950000
Total energy: -1449.201474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.201474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.201474 (E_RNA)
where:
Base-Base interactions energy: -973.731
where: short stacking energy: -401.963
Base-Backbone interact. energy: -0.767
local terms energy: -474.703928
where:
bonds (distance) C4'-P energy: -94.774
bonds (distance) P-C4' energy: -102.967
flat angles C4'-P-C4' energy: -107.541
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -104.593
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1366.720192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.720192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.720192 (E_RNA)
where:
Base-Base interactions energy: -880.459
where: short stacking energy: -404.461
Base-Backbone interact. energy: 0.846
local terms energy: -487.107641
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -109.288
flat angles C4'-P-C4' energy: -98.699
flat angles P-C4'-P energy: -76.952
tors. eta vs tors. theta energy: -109.285
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: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1229.756548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.756548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.756548 (E_RNA)
where:
Base-Base interactions energy: -851.701
where: short stacking energy: -342.114
Base-Backbone interact. energy: -1.093
local terms energy: -376.963471
where:
bonds (distance) C4'-P energy: -81.195
bonds (distance) P-C4' energy: -92.120
flat angles C4'-P-C4' energy: -88.491
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -61.882
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: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1343.240786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.240786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.240786 (E_RNA)
where:
Base-Base interactions energy: -896.786
where: short stacking energy: -403.728
Base-Backbone interact. energy: 0.126
local terms energy: -446.580751
where:
bonds (distance) C4'-P energy: -81.686
bonds (distance) P-C4' energy: -90.528
flat angles C4'-P-C4' energy: -101.026
flat angles P-C4'-P energy: -74.155
tors. eta vs tors. theta energy: -99.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1133.265581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.265581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.265581 (E_RNA)
where:
Base-Base interactions energy: -738.677
where: short stacking energy: -358.934
Base-Backbone interact. energy: -1.772
local terms energy: -392.816366
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -97.676
flat angles C4'-P-C4' energy: -88.215
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -92.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -815.996775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.996775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.996775 (E_RNA)
where:
Base-Base interactions energy: -462.568
where: short stacking energy: -244.010
Base-Backbone interact. energy: -1.581
local terms energy: -351.847694
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -91.049
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -52.813
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: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -735.613138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.613138 (E_RNA)
where:
Base-Base interactions energy: -431.169
where: short stacking energy: -239.475
Base-Backbone interact. energy: -0.506
local terms energy: -303.938035
where:
bonds (distance) C4'-P energy: -75.557
bonds (distance) P-C4' energy: -73.508
flat angles C4'-P-C4' energy: -86.748
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -25.478
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: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -497.090198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.090198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.090198 (E_RNA)
where:
Base-Base interactions energy: -222.823
where: short stacking energy: -146.669
Base-Backbone interact. energy: 0.083
local terms energy: -274.349822
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -65.909
flat angles P-C4'-P energy: -42.299
tors. eta vs tors. theta energy: 2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -425.033337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.033337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.033337 (E_RNA)
where:
Base-Base interactions energy: -173.292
where: short stacking energy: -118.922
Base-Backbone interact. energy: -2.046
local terms energy: -249.694904
where:
bonds (distance) C4'-P energy: -83.971
bonds (distance) P-C4' energy: -78.597
flat angles C4'-P-C4' energy: -65.731
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: 9.745
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1612.774767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.774767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.774767 (E_RNA)
where:
Base-Base interactions energy: -1126.226
where: short stacking energy: -498.224
Base-Backbone interact. energy: -1.748
local terms energy: -484.800742
where:
bonds (distance) C4'-P energy: -91.221
bonds (distance) P-C4' energy: -89.640
flat angles C4'-P-C4' energy: -109.586
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -124.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1420.851629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.851629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.851629 (E_RNA)
where:
Base-Base interactions energy: -970.822
where: short stacking energy: -427.106
Base-Backbone interact. energy: -3.564
local terms energy: -446.465201
where:
bonds (distance) C4'-P energy: -78.770
bonds (distance) P-C4' energy: -92.039
flat angles C4'-P-C4' energy: -109.948
flat angles P-C4'-P energy: -59.374
tors. eta vs tors. theta energy: -106.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1414.553301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.553301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.553301 (E_RNA)
where:
Base-Base interactions energy: -942.896
where: short stacking energy: -403.473
Base-Backbone interact. energy: -4.426
local terms energy: -467.231957
where:
bonds (distance) C4'-P energy: -102.377
bonds (distance) P-C4' energy: -85.497
flat angles C4'-P-C4' energy: -101.385
flat angles P-C4'-P energy: -68.865
tors. eta vs tors. theta energy: -109.108
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: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1388.969342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.969342 (E_RNA)
where:
Base-Base interactions energy: -940.663
where: short stacking energy: -407.659
Base-Backbone interact. energy: -1.434
local terms energy: -446.872725
where:
bonds (distance) C4'-P energy: -87.183
bonds (distance) P-C4' energy: -86.312
flat angles C4'-P-C4' energy: -97.287
flat angles P-C4'-P energy: -74.310
tors. eta vs tors. theta energy: -101.780
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: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1213.893236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.893236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.893236 (E_RNA)
where:
Base-Base interactions energy: -815.104
where: short stacking energy: -317.182
Base-Backbone interact. energy: -2.365
local terms energy: -396.423814
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -88.479
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -64.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1087.119384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.119384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.119384 (E_RNA)
where:
Base-Base interactions energy: -681.840
where: short stacking energy: -323.376
Base-Backbone interact. energy: -3.610
local terms energy: -401.669359
where:
bonds (distance) C4'-P energy: -84.615
bonds (distance) P-C4' energy: -85.432
flat angles C4'-P-C4' energy: -96.190
flat angles P-C4'-P energy: -62.378
tors. eta vs tors. theta energy: -73.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -809.601120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.601120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.601120 (E_RNA)
where:
Base-Base interactions energy: -472.303
where: short stacking energy: -248.140
Base-Backbone interact. energy: -2.762
local terms energy: -334.536284
where:
bonds (distance) C4'-P energy: -69.689
bonds (distance) P-C4' energy: -75.372
flat angles C4'-P-C4' energy: -87.558
flat angles P-C4'-P energy: -59.708
tors. eta vs tors. theta energy: -42.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -697.352479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.352479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.352479 (E_RNA)
where:
Base-Base interactions energy: -363.831
where: short stacking energy: -191.063
Base-Backbone interact. energy: 0.539
local terms energy: -334.061297
where:
bonds (distance) C4'-P energy: -87.632
bonds (distance) P-C4' energy: -98.429
flat angles C4'-P-C4' energy: -77.766
flat angles P-C4'-P energy: -51.605
tors. eta vs tors. theta energy: -18.628
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: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -543.932797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.932797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.932797 (E_RNA)
where:
Base-Base interactions energy: -243.682
where: short stacking energy: -153.573
Base-Backbone interact. energy: 0.716
local terms energy: -300.967480
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -93.321
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -51.485
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: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -446.687530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.687530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.687530 (E_RNA)
where:
Base-Base interactions energy: -194.400
where: short stacking energy: -134.715
Base-Backbone interact. energy: 1.849
local terms energy: -254.136696
where:
bonds (distance) C4'-P energy: -56.503
bonds (distance) P-C4' energy: -92.682
flat angles C4'-P-C4' energy: -75.271
flat angles P-C4'-P energy: -42.559
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: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1596.662466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.662466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.662466 (E_RNA)
where:
Base-Base interactions energy: -1087.492
where: short stacking energy: -465.555
Base-Backbone interact. energy: -1.744
local terms energy: -507.426596
where:
bonds (distance) C4'-P energy: -99.287
bonds (distance) P-C4' energy: -99.460
flat angles C4'-P-C4' energy: -105.563
flat angles P-C4'-P energy: -74.191
tors. eta vs tors. theta energy: -128.925
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1468.929831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.929831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.929831 (E_RNA)
where:
Base-Base interactions energy: -1004.350
where: short stacking energy: -431.230
Base-Backbone interact. energy: 6.814
local terms energy: -471.393118
where:
bonds (distance) C4'-P energy: -84.887
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -102.922
flat angles P-C4'-P energy: -74.709
tors. eta vs tors. theta energy: -113.563
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1477.780000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.780000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.780000 (E_RNA)
where:
Base-Base interactions energy: -983.113
where: short stacking energy: -440.269
Base-Backbone interact. energy: -1.743
local terms energy: -492.923516
where:
bonds (distance) C4'-P energy: -92.101
bonds (distance) P-C4' energy: -98.863
flat angles C4'-P-C4' energy: -110.563
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -118.858
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: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1390.281940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.281940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.281940 (E_RNA)
where:
Base-Base interactions energy: -937.174
where: short stacking energy: -395.997
Base-Backbone interact. energy: -1.035
local terms energy: -452.072735
where:
bonds (distance) C4'-P energy: -90.452
bonds (distance) P-C4' energy: -95.472
flat angles C4'-P-C4' energy: -88.270
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -110.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1229.720311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.720311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.720311 (E_RNA)
where:
Base-Base interactions energy: -802.587
where: short stacking energy: -348.672
Base-Backbone interact. energy: -3.315
local terms energy: -423.818791
where:
bonds (distance) C4'-P energy: -95.201
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -90.581
flat angles P-C4'-P energy: -68.565
tors. eta vs tors. theta energy: -79.751
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1104.498240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.498240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.498240 (E_RNA)
where:
Base-Base interactions energy: -708.670
where: short stacking energy: -335.378
Base-Backbone interact. energy: 2.899
local terms energy: -398.726525
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -84.447
flat angles C4'-P-C4' energy: -89.411
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -83.030
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: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -852.064508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.064508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.064508 (E_RNA)
where:
Base-Base interactions energy: -515.083
where: short stacking energy: -252.946
Base-Backbone interact. energy: -1.799
local terms energy: -335.182627
where:
bonds (distance) C4'-P energy: -82.730
bonds (distance) P-C4' energy: -90.089
flat angles C4'-P-C4' energy: -87.749
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -36.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -725.984983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.984983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.984983 (E_RNA)
where:
Base-Base interactions energy: -393.074
where: short stacking energy: -224.769
Base-Backbone interact. energy: -2.900
local terms energy: -330.010476
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -84.124
flat angles C4'-P-C4' energy: -82.920
flat angles P-C4'-P energy: -49.420
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -591.786545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.786545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.786545 (E_RNA)
where:
Base-Base interactions energy: -326.492
where: short stacking energy: -168.086
Base-Backbone interact. energy: -2.739
local terms energy: -262.554960
where:
bonds (distance) C4'-P energy: -78.676
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -70.731
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -446.737426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.737426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.737426 (E_RNA)
where:
Base-Base interactions energy: -173.989
where: short stacking energy: -122.409
Base-Backbone interact. energy: 3.773
local terms energy: -276.521092
where:
bonds (distance) C4'-P energy: -86.955
bonds (distance) P-C4' energy: -90.537
flat angles C4'-P-C4' energy: -77.546
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: 13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1610.964522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.964522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.964522 (E_RNA)
where:
Base-Base interactions energy: -1086.159
where: short stacking energy: -461.608
Base-Backbone interact. energy: -1.102
local terms energy: -523.703449
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -101.624
flat angles C4'-P-C4' energy: -112.424
flat angles P-C4'-P energy: -80.761
tors. eta vs tors. theta energy: -124.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1502.167666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.167666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.167666 (E_RNA)
where:
Base-Base interactions energy: -1006.485
where: short stacking energy: -439.354
Base-Backbone interact. energy: -3.609
local terms energy: -492.074021
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -99.314
flat angles C4'-P-C4' energy: -110.802
flat angles P-C4'-P energy: -71.724
tors. eta vs tors. theta energy: -118.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1440.746186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.746186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.746186 (E_RNA)
where:
Base-Base interactions energy: -992.263
where: short stacking energy: -419.449
Base-Backbone interact. energy: -2.988
local terms energy: -445.495085
where:
bonds (distance) C4'-P energy: -87.032
bonds (distance) P-C4' energy: -84.382
flat angles C4'-P-C4' energy: -104.997
flat angles P-C4'-P energy: -70.285
tors. eta vs tors. theta energy: -98.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1367.586382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.586382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.586382 (E_RNA)
where:
Base-Base interactions energy: -888.821
where: short stacking energy: -407.378
Base-Backbone interact. energy: 1.264
local terms energy: -480.029511
where:
bonds (distance) C4'-P energy: -88.305
bonds (distance) P-C4' energy: -88.729
flat angles C4'-P-C4' energy: -111.947
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -115.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1233.945697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.945697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.945697 (E_RNA)
where:
Base-Base interactions energy: -826.265
where: short stacking energy: -346.962
Base-Backbone interact. energy: -2.975
local terms energy: -404.705361
where:
bonds (distance) C4'-P energy: -80.279
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -47.547
tors. eta vs tors. theta energy: -86.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1092.588256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.588256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.588256 (E_RNA)
where:
Base-Base interactions energy: -717.015
where: short stacking energy: -341.564
Base-Backbone interact. energy: 1.077
local terms energy: -376.649932
where:
bonds (distance) C4'-P energy: -68.732
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -82.047
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -79.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -946.624661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.624661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.624661 (E_RNA)
where:
Base-Base interactions energy: -565.028
where: short stacking energy: -282.110
Base-Backbone interact. energy: -2.858
local terms energy: -378.738586
where:
bonds (distance) C4'-P energy: -82.191
bonds (distance) P-C4' energy: -76.767
flat angles C4'-P-C4' energy: -101.137
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -64.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -648.573140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.573140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.573140 (E_RNA)
where:
Base-Base interactions energy: -325.487
where: short stacking energy: -186.749
Base-Backbone interact. energy: 0.047
local terms energy: -323.132853
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -83.241
flat angles C4'-P-C4' energy: -84.430
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -623.375528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.375528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.375528 (E_RNA)
where:
Base-Base interactions energy: -325.728
where: short stacking energy: -162.572
Base-Backbone interact. energy: -0.993
local terms energy: -296.653807
where:
bonds (distance) C4'-P energy: -69.363
bonds (distance) P-C4' energy: -90.055
flat angles C4'-P-C4' energy: -80.673
flat angles P-C4'-P energy: -52.347
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -461.677257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.677257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.677257 (E_RNA)
where:
Base-Base interactions energy: -230.212
where: short stacking energy: -126.345
Base-Backbone interact. energy: 2.443
local terms energy: -233.908168
where:
bonds (distance) C4'-P energy: -63.911
bonds (distance) P-C4' energy: -82.273
flat angles C4'-P-C4' energy: -70.712
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: 10.834
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: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1607.602766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.602766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.602766 (E_RNA)
where:
Base-Base interactions energy: -1097.543
where: short stacking energy: -484.291
Base-Backbone interact. energy: -2.328
local terms energy: -507.731617
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -102.215
flat angles P-C4'-P energy: -73.113
tors. eta vs tors. theta energy: -133.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1505.320244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.320244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.320244 (E_RNA)
where:
Base-Base interactions energy: -1023.077
where: short stacking energy: -452.610
Base-Backbone interact. energy: -2.923
local terms energy: -479.319660
where:
bonds (distance) C4'-P energy: -91.641
bonds (distance) P-C4' energy: -97.105
flat angles C4'-P-C4' energy: -105.302
flat angles P-C4'-P energy: -68.823
tors. eta vs tors. theta energy: -116.448
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: 46
Temperature: 1.000000
Total energy: -1409.731159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.731159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.731159 (E_RNA)
where:
Base-Base interactions energy: -969.364
where: short stacking energy: -383.752
Base-Backbone interact. energy: -0.611
local terms energy: -439.756541
where:
bonds (distance) C4'-P energy: -100.483
bonds (distance) P-C4' energy: -96.793
flat angles C4'-P-C4' energy: -95.497
flat angles P-C4'-P energy: -57.613
tors. eta vs tors. theta energy: -89.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1348.878618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.878618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.878618 (E_RNA)
where:
Base-Base interactions energy: -899.204
where: short stacking energy: -391.128
Base-Backbone interact. energy: -2.284
local terms energy: -447.390868
where:
bonds (distance) C4'-P energy: -82.137
bonds (distance) P-C4' energy: -91.669
flat angles C4'-P-C4' energy: -107.110
flat angles P-C4'-P energy: -63.592
tors. eta vs tors. theta energy: -102.883
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1229.823427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.823427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.823427 (E_RNA)
where:
Base-Base interactions energy: -821.951
where: short stacking energy: -341.568
Base-Backbone interact. energy: -1.251
local terms energy: -406.621811
where:
bonds (distance) C4'-P energy: -89.886
bonds (distance) P-C4' energy: -87.177
flat angles C4'-P-C4' energy: -94.405
flat angles P-C4'-P energy: -59.061
tors. eta vs tors. theta energy: -76.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1093.447511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.447511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.447511 (E_RNA)
where:
Base-Base interactions energy: -717.225
where: short stacking energy: -333.011
Base-Backbone interact. energy: -0.500
local terms energy: -375.722680
where:
bonds (distance) C4'-P energy: -87.794
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -78.672
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -81.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -875.729783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.729783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.729783 (E_RNA)
where:
Base-Base interactions energy: -509.343
where: short stacking energy: -264.035
Base-Backbone interact. energy: -2.773
local terms energy: -363.613661
where:
bonds (distance) C4'-P energy: -97.734
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -90.914
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -46.436
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: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -679.193440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.193440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.193440 (E_RNA)
where:
Base-Base interactions energy: -368.650
where: short stacking energy: -227.971
Base-Backbone interact. energy: 2.207
local terms energy: -312.750815
where:
bonds (distance) C4'-P energy: -72.640
bonds (distance) P-C4' energy: -85.597
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -46.142
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -517.790894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.790894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.790894 (E_RNA)
where:
Base-Base interactions energy: -250.027
where: short stacking energy: -149.762
Base-Backbone interact. energy: 2.140
local terms energy: -269.903139
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -75.122
flat angles C4'-P-C4' energy: -73.320
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -601.767307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.767307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.767307 (E_RNA)
where:
Base-Base interactions energy: -338.439
where: short stacking energy: -168.454
Base-Backbone interact. energy: 0.750
local terms energy: -264.078173
where:
bonds (distance) C4'-P energy: -78.798
bonds (distance) P-C4' energy: -78.502
flat angles C4'-P-C4' energy: -66.390
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -3.642
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: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1584.570606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.570606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.570606 (E_RNA)
where:
Base-Base interactions energy: -1068.499
where: short stacking energy: -453.737
Base-Backbone interact. energy: -2.618
local terms energy: -513.454049
where:
bonds (distance) C4'-P energy: -94.599
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -116.023
flat angles P-C4'-P energy: -76.451
tors. eta vs tors. theta energy: -132.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1518.177890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.177890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.177890 (E_RNA)
where:
Base-Base interactions energy: -1020.140
where: short stacking energy: -449.709
Base-Backbone interact. energy: -1.078
local terms energy: -496.960579
where:
bonds (distance) C4'-P energy: -88.198
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -116.357
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -111.750
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1407.230043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.230043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.230043 (E_RNA)
where:
Base-Base interactions energy: -965.009
where: short stacking energy: -381.660
Base-Backbone interact. energy: 2.498
local terms energy: -444.719022
where:
bonds (distance) C4'-P energy: -99.965
bonds (distance) P-C4' energy: -87.115
flat angles C4'-P-C4' energy: -108.614
flat angles P-C4'-P energy: -63.495
tors. eta vs tors. theta energy: -85.530
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: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1290.367947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.367947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.367947 (E_RNA)
where:
Base-Base interactions energy: -874.856
where: short stacking energy: -369.346
Base-Backbone interact. energy: -4.612
local terms energy: -410.900125
where:
bonds (distance) C4'-P energy: -97.658
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -87.131
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: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1252.637272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.637272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.637272 (E_RNA)
where:
Base-Base interactions energy: -836.648
where: short stacking energy: -345.572
Base-Backbone interact. energy: -2.610
local terms energy: -413.379129
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -90.179
flat angles C4'-P-C4' energy: -97.689
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -86.917
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1125.401366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.401366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.401366 (E_RNA)
where:
Base-Base interactions energy: -739.099
where: short stacking energy: -354.117
Base-Backbone interact. energy: 0.089
local terms energy: -386.391564
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -89.813
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -80.913
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: 47
Temperature: 1.200000
Total energy: -886.261740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.261740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.261740 (E_RNA)
where:
Base-Base interactions energy: -541.608
where: short stacking energy: -269.256
Base-Backbone interact. energy: -1.827
local terms energy: -342.826622
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -88.131
flat angles C4'-P-C4' energy: -89.144
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -634.154929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.154929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.154929 (E_RNA)
where:
Base-Base interactions energy: -313.742
where: short stacking energy: -198.129
Base-Backbone interact. energy: -0.978
local terms energy: -319.435215
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -91.844
flat angles P-C4'-P energy: -44.741
tors. eta vs tors. theta energy: -9.971
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -505.275601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.275601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.275601 (E_RNA)
where:
Base-Base interactions energy: -235.411
where: short stacking energy: -156.417
Base-Backbone interact. energy: -1.790
local terms energy: -268.074512
where:
bonds (distance) C4'-P energy: -81.001
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -70.782
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -7.173
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: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -562.847496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.847496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.847496 (E_RNA)
where:
Base-Base interactions energy: -309.842
where: short stacking energy: -151.358
Base-Backbone interact. energy: -1.226
local terms energy: -251.778994
where:
bonds (distance) C4'-P energy: -67.365
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: 6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1572.384760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.384760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.384760 (E_RNA)
where:
Base-Base interactions energy: -1065.026
where: short stacking energy: -471.284
Base-Backbone interact. energy: -3.753
local terms energy: -503.605537
where:
bonds (distance) C4'-P energy: -94.542
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -110.612
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -135.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1526.846696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.846696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.846696 (E_RNA)
where:
Base-Base interactions energy: -1061.030
where: short stacking energy: -457.605
Base-Backbone interact. energy: -0.346
local terms energy: -465.470163
where:
bonds (distance) C4'-P energy: -87.009
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -97.742
flat angles P-C4'-P energy: -68.048
tors. eta vs tors. theta energy: -117.823
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1420.684876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.684876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.684876 (E_RNA)
where:
Base-Base interactions energy: -954.600
where: short stacking energy: -409.296
Base-Backbone interact. energy: -0.608
local terms energy: -465.476650
where:
bonds (distance) C4'-P energy: -95.733
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -69.488
tors. eta vs tors. theta energy: -101.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1330.282821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.282821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.282821 (E_RNA)
where:
Base-Base interactions energy: -905.949
where: short stacking energy: -385.352
Base-Backbone interact. energy: -3.333
local terms energy: -421.000748
where:
bonds (distance) C4'-P energy: -85.650
bonds (distance) P-C4' energy: -84.370
flat angles C4'-P-C4' energy: -89.476
flat angles P-C4'-P energy: -64.334
tors. eta vs tors. theta energy: -97.171
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: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1278.000792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.000792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.000792 (E_RNA)
where:
Base-Base interactions energy: -866.266
where: short stacking energy: -357.728
Base-Backbone interact. energy: -0.595
local terms energy: -411.139318
where:
bonds (distance) C4'-P energy: -74.782
bonds (distance) P-C4' energy: -86.260
flat angles C4'-P-C4' energy: -83.684
flat angles P-C4'-P energy: -70.304
tors. eta vs tors. theta energy: -96.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1108.094970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.094970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.094970 (E_RNA)
where:
Base-Base interactions energy: -704.102
where: short stacking energy: -355.129
Base-Backbone interact. energy: 0.006
local terms energy: -403.998758
where:
bonds (distance) C4'-P energy: -78.596
bonds (distance) P-C4' energy: -87.078
flat angles C4'-P-C4' energy: -95.416
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -89.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -829.780215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.780215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.780215 (E_RNA)
where:
Base-Base interactions energy: -483.796
where: short stacking energy: -242.340
Base-Backbone interact. energy: -1.356
local terms energy: -344.627913
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -91.951
flat angles C4'-P-C4' energy: -87.734
flat angles P-C4'-P energy: -53.741
tors. eta vs tors. theta energy: -33.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -697.734906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.734906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.734906 (E_RNA)
where:
Base-Base interactions energy: -378.795
where: short stacking energy: -219.644
Base-Backbone interact. energy: -1.954
local terms energy: -316.986738
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -520.014160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.014160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.014160 (E_RNA)
where:
Base-Base interactions energy: -245.994
where: short stacking energy: -168.570
Base-Backbone interact. energy: -1.959
local terms energy: -272.061349
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -88.580
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -43.147
tors. eta vs tors. theta energy: -3.544
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: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -559.777549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.777549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.777549 (E_RNA)
where:
Base-Base interactions energy: -287.930
where: short stacking energy: -151.956
Base-Backbone interact. energy: 0.962
local terms energy: -272.810190
where:
bonds (distance) C4'-P energy: -91.676
bonds (distance) P-C4' energy: -86.557
flat angles C4'-P-C4' energy: -67.545
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -0.632
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: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1602.856745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.856745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.856745 (E_RNA)
where:
Base-Base interactions energy: -1108.564
where: short stacking energy: -484.164
Base-Backbone interact. energy: -2.005
local terms energy: -492.288184
where:
bonds (distance) C4'-P energy: -86.390
bonds (distance) P-C4' energy: -100.279
flat angles C4'-P-C4' energy: -104.651
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -131.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1572.143612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.143612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.143612 (E_RNA)
where:
Base-Base interactions energy: -1083.026
where: short stacking energy: -448.914
Base-Backbone interact. energy: 0.541
local terms energy: -489.658752
where:
bonds (distance) C4'-P energy: -96.168
bonds (distance) P-C4' energy: -96.501
flat angles C4'-P-C4' energy: -107.593
flat angles P-C4'-P energy: -78.005
tors. eta vs tors. theta energy: -111.391
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: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1415.923990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.923990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.923990 (E_RNA)
where:
Base-Base interactions energy: -954.753
where: short stacking energy: -412.775
Base-Backbone interact. energy: -2.261
local terms energy: -458.909756
where:
bonds (distance) C4'-P energy: -91.945
bonds (distance) P-C4' energy: -91.862
flat angles C4'-P-C4' energy: -104.024
flat angles P-C4'-P energy: -68.887
tors. eta vs tors. theta energy: -102.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1334.158817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.158817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.158817 (E_RNA)
where:
Base-Base interactions energy: -867.254
where: short stacking energy: -369.455
Base-Backbone interact. energy: -4.571
local terms energy: -462.334162
where:
bonds (distance) C4'-P energy: -87.991
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -113.331
flat angles P-C4'-P energy: -69.003
tors. eta vs tors. theta energy: -94.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1277.214914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.214914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.214914 (E_RNA)
where:
Base-Base interactions energy: -858.652
where: short stacking energy: -369.320
Base-Backbone interact. energy: -2.008
local terms energy: -416.554687
where:
bonds (distance) C4'-P energy: -82.184
bonds (distance) P-C4' energy: -79.093
flat angles C4'-P-C4' energy: -99.007
flat angles P-C4'-P energy: -67.769
tors. eta vs tors. theta energy: -88.503
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1117.058995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.058995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.058995 (E_RNA)
where:
Base-Base interactions energy: -682.903
where: short stacking energy: -326.510
Base-Backbone interact. energy: -2.230
local terms energy: -431.926232
where:
bonds (distance) C4'-P energy: -86.984
bonds (distance) P-C4' energy: -94.018
flat angles C4'-P-C4' energy: -108.494
flat angles P-C4'-P energy: -58.035
tors. eta vs tors. theta energy: -84.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -909.261082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.261082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.261082 (E_RNA)
where:
Base-Base interactions energy: -549.909
where: short stacking energy: -244.691
Base-Backbone interact. energy: -1.706
local terms energy: -357.646317
where:
bonds (distance) C4'-P energy: -75.532
bonds (distance) P-C4' energy: -89.421
flat angles C4'-P-C4' energy: -89.197
flat angles P-C4'-P energy: -50.533
tors. eta vs tors. theta energy: -52.962
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -698.969501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.969501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.969501 (E_RNA)
where:
Base-Base interactions energy: -392.509
where: short stacking energy: -198.797
Base-Backbone interact. energy: 1.009
local terms energy: -307.469411
where:
bonds (distance) C4'-P energy: -84.092
bonds (distance) P-C4' energy: -77.062
flat angles C4'-P-C4' energy: -77.063
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -598.093996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.093996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.093996 (E_RNA)
where:
Base-Base interactions energy: -294.057
where: short stacking energy: -178.726
Base-Backbone interact. energy: -0.836
local terms energy: -303.201029
where:
bonds (distance) C4'-P energy: -86.188
bonds (distance) P-C4' energy: -78.020
flat angles C4'-P-C4' energy: -79.862
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: -18.824
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: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -576.010829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.010829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.010829 (E_RNA)
where:
Base-Base interactions energy: -296.237
where: short stacking energy: -165.982
Base-Backbone interact. energy: -0.362
local terms energy: -279.411415
where:
bonds (distance) C4'-P energy: -81.944
bonds (distance) P-C4' energy: -86.233
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -16.396
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: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1576.315008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.315008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.315008 (E_RNA)
where:
Base-Base interactions energy: -1073.763
where: short stacking energy: -473.279
Base-Backbone interact. energy: -2.604
local terms energy: -499.947918
where:
bonds (distance) C4'-P energy: -95.750
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -112.571
flat angles P-C4'-P energy: -62.397
tors. eta vs tors. theta energy: -129.168
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: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1566.720845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.720845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.720845 (E_RNA)
where:
Base-Base interactions energy: -1101.342
where: short stacking energy: -457.468
Base-Backbone interact. energy: -1.228
local terms energy: -464.151245
where:
bonds (distance) C4'-P energy: -87.890
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -44.142
tors. eta vs tors. theta energy: -129.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1421.950135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.950135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.950135 (E_RNA)
where:
Base-Base interactions energy: -945.306
where: short stacking energy: -440.933
Base-Backbone interact. energy: -2.135
local terms energy: -474.509832
where:
bonds (distance) C4'-P energy: -98.446
bonds (distance) P-C4' energy: -95.041
flat angles C4'-P-C4' energy: -108.933
flat angles P-C4'-P energy: -62.212
tors. eta vs tors. theta energy: -109.877
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: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1355.679249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.679249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.679249 (E_RNA)
where:
Base-Base interactions energy: -909.672
where: short stacking energy: -393.933
Base-Backbone interact. energy: -3.346
local terms energy: -442.661278
where:
bonds (distance) C4'-P energy: -79.034
bonds (distance) P-C4' energy: -84.614
flat angles C4'-P-C4' energy: -104.798
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -115.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1244.172953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.172953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.172953 (E_RNA)
where:
Base-Base interactions energy: -838.475
where: short stacking energy: -340.670
Base-Backbone interact. energy: -3.207
local terms energy: -402.490808
where:
bonds (distance) C4'-P energy: -88.597
bonds (distance) P-C4' energy: -86.420
flat angles C4'-P-C4' energy: -80.597
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -94.022
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: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1195.621824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.621824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.621824 (E_RNA)
where:
Base-Base interactions energy: -776.566
where: short stacking energy: -342.711
Base-Backbone interact. energy: -2.375
local terms energy: -416.680627
where:
bonds (distance) C4'-P energy: -89.973
bonds (distance) P-C4' energy: -94.047
flat angles C4'-P-C4' energy: -92.400
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -100.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -959.075509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.075509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.075509 (E_RNA)
where:
Base-Base interactions energy: -596.927
where: short stacking energy: -307.818
Base-Backbone interact. energy: -1.842
local terms energy: -360.307049
where:
bonds (distance) C4'-P energy: -73.421
bonds (distance) P-C4' energy: -84.185
flat angles C4'-P-C4' energy: -86.462
flat angles P-C4'-P energy: -49.961
tors. eta vs tors. theta energy: -66.278
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: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -697.806571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.806571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.806571 (E_RNA)
where:
Base-Base interactions energy: -369.187
where: short stacking energy: -197.293
Base-Backbone interact. energy: 8.447
local terms energy: -337.066164
where:
bonds (distance) C4'-P energy: -86.499
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -62.208
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -580.441805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.441805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.441805 (E_RNA)
where:
Base-Base interactions energy: -312.595
where: short stacking energy: -188.745
Base-Backbone interact. energy: 4.976
local terms energy: -272.822757
where:
bonds (distance) C4'-P energy: -76.388
bonds (distance) P-C4' energy: -74.683
flat angles C4'-P-C4' energy: -72.439
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -11.479
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: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -536.252458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.252458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.252458 (E_RNA)
where:
Base-Base interactions energy: -275.922
where: short stacking energy: -162.744
Base-Backbone interact. energy: -0.736
local terms energy: -259.594046
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -73.986
flat angles P-C4'-P energy: -48.772
tors. eta vs tors. theta energy: -10.908
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: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1603.913344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.913344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.913344 (E_RNA)
where:
Base-Base interactions energy: -1088.263
where: short stacking energy: -481.970
Base-Backbone interact. energy: -2.378
local terms energy: -513.272050
where:
bonds (distance) C4'-P energy: -98.671
bonds (distance) P-C4' energy: -100.146
flat angles C4'-P-C4' energy: -108.511
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -133.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1564.741240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.741240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.741240 (E_RNA)
where:
Base-Base interactions energy: -1074.210
where: short stacking energy: -475.033
Base-Backbone interact. energy: 1.847
local terms energy: -492.377564
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -103.290
flat angles P-C4'-P energy: -65.285
tors. eta vs tors. theta energy: -134.101
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: 51
Temperature: 1.000000
Total energy: -1419.698866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.698866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.698866 (E_RNA)
where:
Base-Base interactions energy: -964.572
where: short stacking energy: -436.766
Base-Backbone interact. energy: 0.708
local terms energy: -455.835077
where:
bonds (distance) C4'-P energy: -91.367
bonds (distance) P-C4' energy: -90.096
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -65.020
tors. eta vs tors. theta energy: -109.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1367.138550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.138550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.138550 (E_RNA)
where:
Base-Base interactions energy: -915.869
where: short stacking energy: -405.618
Base-Backbone interact. energy: -4.506
local terms energy: -446.764361
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -101.601
flat angles C4'-P-C4' energy: -96.787
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: -107.244
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: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1300.943699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.943699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.943699 (E_RNA)
where:
Base-Base interactions energy: -886.960
where: short stacking energy: -377.102
Base-Backbone interact. energy: 1.842
local terms energy: -415.825675
where:
bonds (distance) C4'-P energy: -62.579
bonds (distance) P-C4' energy: -93.465
flat angles C4'-P-C4' energy: -97.907
flat angles P-C4'-P energy: -64.611
tors. eta vs tors. theta energy: -97.264
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1147.517972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.517972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.517972 (E_RNA)
where:
Base-Base interactions energy: -767.697
where: short stacking energy: -347.084
Base-Backbone interact. energy: 1.175
local terms energy: -380.996230
where:
bonds (distance) C4'-P energy: -78.259
bonds (distance) P-C4' energy: -79.889
flat angles C4'-P-C4' energy: -100.049
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -78.992
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: 51
Temperature: 1.200000
Total energy: -1004.742238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.742238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.742238 (E_RNA)
where:
Base-Base interactions energy: -628.348
where: short stacking energy: -309.910
Base-Backbone interact. energy: -1.410
local terms energy: -374.984371
where:
bonds (distance) C4'-P energy: -80.331
bonds (distance) P-C4' energy: -80.741
flat angles C4'-P-C4' energy: -81.668
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: -79.278
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -709.239540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.239540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.239540 (E_RNA)
where:
Base-Base interactions energy: -380.287
where: short stacking energy: -225.871
Base-Backbone interact. energy: -0.063
local terms energy: -328.889675
where:
bonds (distance) C4'-P energy: -93.195
bonds (distance) P-C4' energy: -79.896
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -30.311
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: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -604.871233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.871233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.871233 (E_RNA)
where:
Base-Base interactions energy: -330.965
where: short stacking energy: -197.780
Base-Backbone interact. energy: -0.656
local terms energy: -273.250342
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -75.068
flat angles P-C4'-P energy: -40.537
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -554.232030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.232030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.232030 (E_RNA)
where:
Base-Base interactions energy: -283.739
where: short stacking energy: -156.623
Base-Backbone interact. energy: 0.216
local terms energy: -270.708703
where:
bonds (distance) C4'-P energy: -84.980
bonds (distance) P-C4' energy: -67.518
flat angles C4'-P-C4' energy: -68.185
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1631.475816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.475816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.475816 (E_RNA)
where:
Base-Base interactions energy: -1122.025
where: short stacking energy: -482.871
Base-Backbone interact. energy: -1.974
local terms energy: -507.476835
where:
bonds (distance) C4'-P energy: -89.930
bonds (distance) P-C4' energy: -104.512
flat angles C4'-P-C4' energy: -110.472
flat angles P-C4'-P energy: -66.011
tors. eta vs tors. theta energy: -136.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1537.262077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.262077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.262077 (E_RNA)
where:
Base-Base interactions energy: -1022.529
where: short stacking energy: -459.109
Base-Backbone interact. energy: -4.644
local terms energy: -510.089257
where:
bonds (distance) C4'-P energy: -97.650
bonds (distance) P-C4' energy: -97.495
flat angles C4'-P-C4' energy: -108.699
flat angles P-C4'-P energy: -70.207
tors. eta vs tors. theta energy: -136.038
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: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1406.809455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.809455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.809455 (E_RNA)
where:
Base-Base interactions energy: -964.035
where: short stacking energy: -405.281
Base-Backbone interact. energy: -0.897
local terms energy: -441.877130
where:
bonds (distance) C4'-P energy: -98.983
bonds (distance) P-C4' energy: -86.121
flat angles C4'-P-C4' energy: -98.615
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -102.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1372.257063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.257063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.257063 (E_RNA)
where:
Base-Base interactions energy: -932.878
where: short stacking energy: -398.852
Base-Backbone interact. energy: -2.516
local terms energy: -436.863613
where:
bonds (distance) C4'-P energy: -69.378
bonds (distance) P-C4' energy: -92.556
flat angles C4'-P-C4' energy: -95.487
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -112.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1290.666047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.666047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.666047 (E_RNA)
where:
Base-Base interactions energy: -858.045
where: short stacking energy: -358.855
Base-Backbone interact. energy: 1.847
local terms energy: -434.468179
where:
bonds (distance) C4'-P energy: -99.838
bonds (distance) P-C4' energy: -95.758
flat angles C4'-P-C4' energy: -94.157
flat angles P-C4'-P energy: -57.515
tors. eta vs tors. theta energy: -87.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1171.986611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.986611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.986611 (E_RNA)
where:
Base-Base interactions energy: -769.341
where: short stacking energy: -343.745
Base-Backbone interact. energy: 0.077
local terms energy: -402.722826
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -84.096
flat angles C4'-P-C4' energy: -99.110
flat angles P-C4'-P energy: -55.434
tors. eta vs tors. theta energy: -88.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -992.686778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.686778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.686778 (E_RNA)
where:
Base-Base interactions energy: -632.085
where: short stacking energy: -310.025
Base-Backbone interact. energy: 2.675
local terms energy: -363.277442
where:
bonds (distance) C4'-P energy: -71.153
bonds (distance) P-C4' energy: -89.652
flat angles C4'-P-C4' energy: -85.489
flat angles P-C4'-P energy: -49.641
tors. eta vs tors. theta energy: -67.342
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: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -742.787547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.787547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.787547 (E_RNA)
where:
Base-Base interactions energy: -428.917
where: short stacking energy: -215.479
Base-Backbone interact. energy: -2.456
local terms energy: -311.415242
where:
bonds (distance) C4'-P energy: -77.083
bonds (distance) P-C4' energy: -82.325
flat angles C4'-P-C4' energy: -76.572
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -28.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -618.480132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.480132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.480132 (E_RNA)
where:
Base-Base interactions energy: -315.629
where: short stacking energy: -178.243
Base-Backbone interact. energy: 2.795
local terms energy: -305.646060
where:
bonds (distance) C4'-P energy: -69.803
bonds (distance) P-C4' energy: -91.434
flat angles C4'-P-C4' energy: -81.758
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -534.655557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.655557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.655557 (E_RNA)
where:
Base-Base interactions energy: -284.426
where: short stacking energy: -167.242
Base-Backbone interact. energy: 3.589
local terms energy: -253.818469
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -81.929
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: 6.600
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: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1655.394687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.394687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.394687 (E_RNA)
where:
Base-Base interactions energy: -1146.464
where: short stacking energy: -499.043
Base-Backbone interact. energy: -1.702
local terms energy: -507.229557
where:
bonds (distance) C4'-P energy: -99.078
bonds (distance) P-C4' energy: -96.921
flat angles C4'-P-C4' energy: -109.491
flat angles P-C4'-P energy: -68.504
tors. eta vs tors. theta energy: -133.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1560.588268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.588268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.588268 (E_RNA)
where:
Base-Base interactions energy: -1079.771
where: short stacking energy: -457.665
Base-Backbone interact. energy: -0.923
local terms energy: -479.893893
where:
bonds (distance) C4'-P energy: -98.515
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -104.143
flat angles P-C4'-P energy: -51.835
tors. eta vs tors. theta energy: -129.123
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: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1434.263693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.263693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.263693 (E_RNA)
where:
Base-Base interactions energy: -950.774
where: short stacking energy: -420.245
Base-Backbone interact. energy: -1.344
local terms energy: -482.145992
where:
bonds (distance) C4'-P energy: -92.049
bonds (distance) P-C4' energy: -107.684
flat angles C4'-P-C4' energy: -105.400
flat angles P-C4'-P energy: -77.286
tors. eta vs tors. theta energy: -99.727
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: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1356.328014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.328014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.328014 (E_RNA)
where:
Base-Base interactions energy: -901.857
where: short stacking energy: -387.941
Base-Backbone interact. energy: -1.536
local terms energy: -452.934674
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -90.792
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -58.741
tors. eta vs tors. theta energy: -105.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1267.419108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.419108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.419108 (E_RNA)
where:
Base-Base interactions energy: -853.052
where: short stacking energy: -347.315
Base-Backbone interact. energy: -0.844
local terms energy: -413.522941
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -90.246
flat angles C4'-P-C4' energy: -85.028
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -83.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1188.253834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.253834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.253834 (E_RNA)
where:
Base-Base interactions energy: -776.415
where: short stacking energy: -348.289
Base-Backbone interact. energy: -4.999
local terms energy: -406.839912
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -87.347
flat angles C4'-P-C4' energy: -90.130
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: -86.864
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -957.744199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.744199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.744199 (E_RNA)
where:
Base-Base interactions energy: -583.248
where: short stacking energy: -273.267
Base-Backbone interact. energy: 2.294
local terms energy: -376.790733
where:
bonds (distance) C4'-P energy: -97.321
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -52.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -704.767379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.767379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.767379 (E_RNA)
where:
Base-Base interactions energy: -391.857
where: short stacking energy: -220.000
Base-Backbone interact. energy: 0.252
local terms energy: -313.162162
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -598.776188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.776188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.776188 (E_RNA)
where:
Base-Base interactions energy: -314.521
where: short stacking energy: -165.382
Base-Backbone interact. energy: 0.452
local terms energy: -284.707254
where:
bonds (distance) C4'-P energy: -86.926
bonds (distance) P-C4' energy: -90.797
flat angles C4'-P-C4' energy: -76.892
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: 3.039
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: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -475.087570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.087570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.087570 (E_RNA)
where:
Base-Base interactions energy: -218.825
where: short stacking energy: -147.550
Base-Backbone interact. energy: -1.420
local terms energy: -254.843123
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -79.969
flat angles P-C4'-P energy: -49.940
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: 54
Temperature: 0.900000
Total energy: -1649.414757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.414757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.414757 (E_RNA)
where:
Base-Base interactions energy: -1142.300
where: short stacking energy: -477.131
Base-Backbone interact. energy: 0.632
local terms energy: -507.746448
where:
bonds (distance) C4'-P energy: -94.575
bonds (distance) P-C4' energy: -100.564
flat angles C4'-P-C4' energy: -108.283
flat angles P-C4'-P energy: -68.548
tors. eta vs tors. theta energy: -135.776
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: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1545.404831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.404831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.404831 (E_RNA)
where:
Base-Base interactions energy: -1060.891
where: short stacking energy: -469.478
Base-Backbone interact. energy: -2.409
local terms energy: -482.104476
where:
bonds (distance) C4'-P energy: -98.685
bonds (distance) P-C4' energy: -81.092
flat angles C4'-P-C4' energy: -97.387
flat angles P-C4'-P energy: -72.582
tors. eta vs tors. theta energy: -132.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1444.295289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.295289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.295289 (E_RNA)
where:
Base-Base interactions energy: -984.736
where: short stacking energy: -436.831
Base-Backbone interact. energy: 0.790
local terms energy: -460.349930
where:
bonds (distance) C4'-P energy: -97.976
bonds (distance) P-C4' energy: -87.378
flat angles C4'-P-C4' energy: -93.462
flat angles P-C4'-P energy: -71.879
tors. eta vs tors. theta energy: -109.655
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: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1280.044171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.044171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.044171 (E_RNA)
where:
Base-Base interactions energy: -845.420
where: short stacking energy: -380.126
Base-Backbone interact. energy: -3.677
local terms energy: -430.947124
where:
bonds (distance) C4'-P energy: -81.340
bonds (distance) P-C4' energy: -93.124
flat angles C4'-P-C4' energy: -95.712
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -102.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1237.296686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.296686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.296686 (E_RNA)
where:
Base-Base interactions energy: -796.143
where: short stacking energy: -365.017
Base-Backbone interact. energy: -1.196
local terms energy: -439.956767
where:
bonds (distance) C4'-P energy: -93.721
bonds (distance) P-C4' energy: -92.210
flat angles C4'-P-C4' energy: -88.622
flat angles P-C4'-P energy: -72.738
tors. eta vs tors. theta energy: -92.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1200.377345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.377345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.377345 (E_RNA)
where:
Base-Base interactions energy: -816.821
where: short stacking energy: -345.262
Base-Backbone interact. energy: -0.321
local terms energy: -383.236078
where:
bonds (distance) C4'-P energy: -84.041
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -102.079
flat angles P-C4'-P energy: -59.151
tors. eta vs tors. theta energy: -73.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -983.016149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.016149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.016149 (E_RNA)
where:
Base-Base interactions energy: -628.392
where: short stacking energy: -291.187
Base-Backbone interact. energy: -1.329
local terms energy: -353.294615
where:
bonds (distance) C4'-P energy: -85.196
bonds (distance) P-C4' energy: -69.949
flat angles C4'-P-C4' energy: -86.788
flat angles P-C4'-P energy: -56.123
tors. eta vs tors. theta energy: -55.237
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: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -684.206447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.206447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.206447 (E_RNA)
where:
Base-Base interactions energy: -361.428
where: short stacking energy: -197.163
Base-Backbone interact. energy: 2.456
local terms energy: -325.233900
where:
bonds (distance) C4'-P energy: -73.853
bonds (distance) P-C4' energy: -81.552
flat angles C4'-P-C4' energy: -93.322
flat angles P-C4'-P energy: -57.323
tors. eta vs tors. theta energy: -19.184
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -595.452608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.452608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.452608 (E_RNA)
where:
Base-Base interactions energy: -294.715
where: short stacking energy: -165.727
Base-Backbone interact. energy: -2.864
local terms energy: -297.873372
where:
bonds (distance) C4'-P energy: -72.566
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -78.836
flat angles P-C4'-P energy: -52.341
tors. eta vs tors. theta energy: -2.161
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: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -521.511820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.511820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.511820 (E_RNA)
where:
Base-Base interactions energy: -249.504
where: short stacking energy: -131.332
Base-Backbone interact. energy: -0.004
local terms energy: -272.003639
where:
bonds (distance) C4'-P energy: -79.170
bonds (distance) P-C4' energy: -82.254
flat angles C4'-P-C4' energy: -56.972
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1640.351763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.351763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.351763 (E_RNA)
where:
Base-Base interactions energy: -1116.704
where: short stacking energy: -479.975
Base-Backbone interact. energy: -1.588
local terms energy: -522.059737
where:
bonds (distance) C4'-P energy: -109.436
bonds (distance) P-C4' energy: -105.154
flat angles C4'-P-C4' energy: -108.011
flat angles P-C4'-P energy: -74.709
tors. eta vs tors. theta energy: -124.750
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: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1584.306688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.306688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.306688 (E_RNA)
where:
Base-Base interactions energy: -1096.342
where: short stacking energy: -482.929
Base-Backbone interact. energy: -2.460
local terms energy: -485.504565
where:
bonds (distance) C4'-P energy: -96.557
bonds (distance) P-C4' energy: -85.834
flat angles C4'-P-C4' energy: -105.737
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -136.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1429.552262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.552262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.552262 (E_RNA)
where:
Base-Base interactions energy: -962.713
where: short stacking energy: -432.186
Base-Backbone interact. energy: -2.801
local terms energy: -464.037958
where:
bonds (distance) C4'-P energy: -81.833
bonds (distance) P-C4' energy: -85.503
flat angles C4'-P-C4' energy: -110.486
flat angles P-C4'-P energy: -65.707
tors. eta vs tors. theta energy: -120.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1299.344605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.344605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.344605 (E_RNA)
where:
Base-Base interactions energy: -857.647
where: short stacking energy: -390.921
Base-Backbone interact. energy: 0.611
local terms energy: -442.308776
where:
bonds (distance) C4'-P energy: -93.129
bonds (distance) P-C4' energy: -98.113
flat angles C4'-P-C4' energy: -102.105
flat angles P-C4'-P energy: -54.469
tors. eta vs tors. theta energy: -94.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1237.867105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.867105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.867105 (E_RNA)
where:
Base-Base interactions energy: -823.936
where: short stacking energy: -358.905
Base-Backbone interact. energy: -0.433
local terms energy: -413.498885
where:
bonds (distance) C4'-P energy: -78.432
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -91.864
flat angles P-C4'-P energy: -64.944
tors. eta vs tors. theta energy: -83.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1193.253900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.253900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.253900 (E_RNA)
where:
Base-Base interactions energy: -797.919
where: short stacking energy: -344.616
Base-Backbone interact. energy: -0.761
local terms energy: -394.573231
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -75.215
flat angles C4'-P-C4' energy: -98.077
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -86.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -925.399948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.399948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.399948 (E_RNA)
where:
Base-Base interactions energy: -565.003
where: short stacking energy: -272.632
Base-Backbone interact. energy: -0.419
local terms energy: -359.978119
where:
bonds (distance) C4'-P energy: -85.599
bonds (distance) P-C4' energy: -88.631
flat angles C4'-P-C4' energy: -69.631
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -60.420
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: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -709.851251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.851251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.851251 (E_RNA)
where:
Base-Base interactions energy: -375.172
where: short stacking energy: -220.464
Base-Backbone interact. energy: -1.698
local terms energy: -332.981284
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -75.202
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -594.420309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.420309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.420309 (E_RNA)
where:
Base-Base interactions energy: -321.368
where: short stacking energy: -170.602
Base-Backbone interact. energy: -0.046
local terms energy: -273.006135
where:
bonds (distance) C4'-P energy: -79.808
bonds (distance) P-C4' energy: -79.191
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -9.996
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: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -534.083020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.083020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.083020 (E_RNA)
where:
Base-Base interactions energy: -270.398
where: short stacking energy: -132.932
Base-Backbone interact. energy: -1.815
local terms energy: -261.870722
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -86.465
flat angles C4'-P-C4' energy: -62.919
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: 7.621
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: 56
Temperature: 0.900000
Total energy: -1640.361114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.361114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.361114 (E_RNA)
where:
Base-Base interactions energy: -1120.184
where: short stacking energy: -456.328
Base-Backbone interact. energy: -2.156
local terms energy: -518.021215
where:
bonds (distance) C4'-P energy: -103.535
bonds (distance) P-C4' energy: -112.628
flat angles C4'-P-C4' energy: -110.193
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -125.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1582.989049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.989049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.989049 (E_RNA)
where:
Base-Base interactions energy: -1113.197
where: short stacking energy: -477.117
Base-Backbone interact. energy: -3.074
local terms energy: -466.717786
where:
bonds (distance) C4'-P energy: -82.117
bonds (distance) P-C4' energy: -91.213
flat angles C4'-P-C4' energy: -106.109
flat angles P-C4'-P energy: -57.413
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1424.008058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.008058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.008058 (E_RNA)
where:
Base-Base interactions energy: -971.965
where: short stacking energy: -417.072
Base-Backbone interact. energy: -2.826
local terms energy: -449.216611
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -99.278
flat angles C4'-P-C4' energy: -90.549
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -104.285
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1330.607514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.607514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.607514 (E_RNA)
where:
Base-Base interactions energy: -890.056
where: short stacking energy: -385.018
Base-Backbone interact. energy: -1.936
local terms energy: -438.615487
where:
bonds (distance) C4'-P energy: -88.231
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -91.474
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -105.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1204.644730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.644730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.644730 (E_RNA)
where:
Base-Base interactions energy: -794.363
where: short stacking energy: -331.362
Base-Backbone interact. energy: -0.428
local terms energy: -409.853621
where:
bonds (distance) C4'-P energy: -92.412
bonds (distance) P-C4' energy: -96.212
flat angles C4'-P-C4' energy: -89.071
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -72.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1158.159304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.159304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.159304 (E_RNA)
where:
Base-Base interactions energy: -754.066
where: short stacking energy: -334.292
Base-Backbone interact. energy: 1.009
local terms energy: -405.101994
where:
bonds (distance) C4'-P energy: -84.550
bonds (distance) P-C4' energy: -86.043
flat angles C4'-P-C4' energy: -96.156
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -76.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -923.711691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.711691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.711691 (E_RNA)
where:
Base-Base interactions energy: -531.270
where: short stacking energy: -279.533
Base-Backbone interact. energy: 1.735
local terms energy: -394.177082
where:
bonds (distance) C4'-P energy: -89.837
bonds (distance) P-C4' energy: -80.792
flat angles C4'-P-C4' energy: -92.615
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -77.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -750.439432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.439432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.439432 (E_RNA)
where:
Base-Base interactions energy: -409.489
where: short stacking energy: -226.616
Base-Backbone interact. energy: -1.037
local terms energy: -339.912876
where:
bonds (distance) C4'-P energy: -79.591
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -83.278
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -43.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -571.411983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.411983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.411983 (E_RNA)
where:
Base-Base interactions energy: -303.656
where: short stacking energy: -171.935
Base-Backbone interact. energy: -0.051
local terms energy: -267.705384
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -71.731
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -565.369093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.369093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.369093 (E_RNA)
where:
Base-Base interactions energy: -292.483
where: short stacking energy: -157.495
Base-Backbone interact. energy: -1.523
local terms energy: -271.363004
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -82.727
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: 5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1653.559930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.559930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.559930 (E_RNA)
where:
Base-Base interactions energy: -1152.558
where: short stacking energy: -486.845
Base-Backbone interact. energy: -2.756
local terms energy: -498.245360
where:
bonds (distance) C4'-P energy: -85.219
bonds (distance) P-C4' energy: -90.586
flat angles C4'-P-C4' energy: -105.045
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -141.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1589.210011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.210011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.210011 (E_RNA)
where:
Base-Base interactions energy: -1088.066
where: short stacking energy: -468.968
Base-Backbone interact. energy: -0.590
local terms energy: -500.553972
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -95.378
flat angles C4'-P-C4' energy: -109.436
flat angles P-C4'-P energy: -58.004
tors. eta vs tors. theta energy: -138.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1425.472547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.472547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.472547 (E_RNA)
where:
Base-Base interactions energy: -948.570
where: short stacking energy: -419.993
Base-Backbone interact. energy: -1.026
local terms energy: -475.876723
where:
bonds (distance) C4'-P energy: -83.458
bonds (distance) P-C4' energy: -98.044
flat angles C4'-P-C4' energy: -104.828
flat angles P-C4'-P energy: -72.924
tors. eta vs tors. theta energy: -116.623
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: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1289.251213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.251213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.251213 (E_RNA)
where:
Base-Base interactions energy: -859.407
where: short stacking energy: -375.159
Base-Backbone interact. energy: 0.752
local terms energy: -430.596287
where:
bonds (distance) C4'-P energy: -84.738
bonds (distance) P-C4' energy: -94.044
flat angles C4'-P-C4' energy: -101.455
flat angles P-C4'-P energy: -66.972
tors. eta vs tors. theta energy: -83.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1304.282050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.282050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.282050 (E_RNA)
where:
Base-Base interactions energy: -877.610
where: short stacking energy: -408.431
Base-Backbone interact. energy: -0.561
local terms energy: -426.110767
where:
bonds (distance) C4'-P energy: -86.040
bonds (distance) P-C4' energy: -85.909
flat angles C4'-P-C4' energy: -89.904
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -99.488
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1110.559812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.559812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.559812 (E_RNA)
where:
Base-Base interactions energy: -714.659
where: short stacking energy: -327.443
Base-Backbone interact. energy: -1.326
local terms energy: -394.574352
where:
bonds (distance) C4'-P energy: -87.244
bonds (distance) P-C4' energy: -93.007
flat angles C4'-P-C4' energy: -77.511
flat angles P-C4'-P energy: -61.970
tors. eta vs tors. theta energy: -74.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -982.391580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.391580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.391580 (E_RNA)
where:
Base-Base interactions energy: -617.563
where: short stacking energy: -290.893
Base-Backbone interact. energy: 2.058
local terms energy: -366.886167
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -73.157
flat angles C4'-P-C4' energy: -98.720
flat angles P-C4'-P energy: -62.760
tors. eta vs tors. theta energy: -59.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -709.146136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.146136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.146136 (E_RNA)
where:
Base-Base interactions energy: -406.251
where: short stacking energy: -229.710
Base-Backbone interact. energy: -1.053
local terms energy: -301.841652
where:
bonds (distance) C4'-P energy: -85.438
bonds (distance) P-C4' energy: -81.986
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -29.214
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: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -590.598878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.598878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.598878 (E_RNA)
where:
Base-Base interactions energy: -292.667
where: short stacking energy: -172.653
Base-Backbone interact. energy: -1.899
local terms energy: -296.032897
where:
bonds (distance) C4'-P energy: -84.322
bonds (distance) P-C4' energy: -93.294
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -38.093
tors. eta vs tors. theta energy: -14.365
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: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -554.201355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.201355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.201355 (E_RNA)
where:
Base-Base interactions energy: -284.223
where: short stacking energy: -152.198
Base-Backbone interact. energy: 2.227
local terms energy: -272.204785
where:
bonds (distance) C4'-P energy: -85.057
bonds (distance) P-C4' energy: -69.476
flat angles C4'-P-C4' energy: -74.195
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1670.630050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.630050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.630050 (E_RNA)
where:
Base-Base interactions energy: -1149.060
where: short stacking energy: -479.916
Base-Backbone interact. energy: -3.387
local terms energy: -518.182896
where:
bonds (distance) C4'-P energy: -97.602
bonds (distance) P-C4' energy: -100.785
flat angles C4'-P-C4' energy: -111.188
flat angles P-C4'-P energy: -72.960
tors. eta vs tors. theta energy: -135.648
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: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1577.872624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.872624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.872624 (E_RNA)
where:
Base-Base interactions energy: -1084.133
where: short stacking energy: -478.080
Base-Backbone interact. energy: -2.506
local terms energy: -491.233290
where:
bonds (distance) C4'-P energy: -80.128
bonds (distance) P-C4' energy: -98.614
flat angles C4'-P-C4' energy: -117.875
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -135.592
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: 58
Temperature: 1.000000
Total energy: -1441.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.391158 (E_RNA)
where:
Base-Base interactions energy: -1004.415
where: short stacking energy: -429.901
Base-Backbone interact. energy: -1.807
local terms energy: -435.169931
where:
bonds (distance) C4'-P energy: -84.758
bonds (distance) P-C4' energy: -92.589
flat angles C4'-P-C4' energy: -94.769
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -106.613
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: 58
Temperature: 1.050000
Total energy: -1324.413329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.413329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.413329 (E_RNA)
where:
Base-Base interactions energy: -882.184
where: short stacking energy: -368.908
Base-Backbone interact. energy: -1.689
local terms energy: -440.540330
where:
bonds (distance) C4'-P energy: -101.944
bonds (distance) P-C4' energy: -92.825
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -56.777
tors. eta vs tors. theta energy: -100.408
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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1279.433566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.433566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.433566 (E_RNA)
where:
Base-Base interactions energy: -858.350
where: short stacking energy: -367.579
Base-Backbone interact. energy: -1.220
local terms energy: -419.863909
where:
bonds (distance) C4'-P energy: -80.286
bonds (distance) P-C4' energy: -92.331
flat angles C4'-P-C4' energy: -90.042
flat angles P-C4'-P energy: -67.252
tors. eta vs tors. theta energy: -89.953
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: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1166.712550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.712550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.712550 (E_RNA)
where:
Base-Base interactions energy: -762.728
where: short stacking energy: -350.217
Base-Backbone interact. energy: -2.861
local terms energy: -401.123591
where:
bonds (distance) C4'-P energy: -64.406
bonds (distance) P-C4' energy: -91.140
flat angles C4'-P-C4' energy: -112.163
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -81.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -964.749620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.749620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.749620 (E_RNA)
where:
Base-Base interactions energy: -577.334
where: short stacking energy: -266.869
Base-Backbone interact. energy: 0.046
local terms energy: -387.461452
where:
bonds (distance) C4'-P energy: -79.573
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -102.296
flat angles P-C4'-P energy: -47.839
tors. eta vs tors. theta energy: -58.318
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: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -714.221592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.221592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.221592 (E_RNA)
where:
Base-Base interactions energy: -406.406
where: short stacking energy: -230.759
Base-Backbone interact. energy: -0.597
local terms energy: -307.218735
where:
bonds (distance) C4'-P energy: -64.706
bonds (distance) P-C4' energy: -78.896
flat angles C4'-P-C4' energy: -81.227
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -33.594
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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -647.337184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.337184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.337184 (E_RNA)
where:
Base-Base interactions energy: -351.848
where: short stacking energy: -187.905
Base-Backbone interact. energy: 0.733
local terms energy: -296.222806
where:
bonds (distance) C4'-P energy: -76.099
bonds (distance) P-C4' energy: -87.489
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -512.630411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.630411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.630411 (E_RNA)
where:
Base-Base interactions energy: -256.250
where: short stacking energy: -141.996
Base-Backbone interact. energy: 4.360
local terms energy: -260.740784
where:
bonds (distance) C4'-P energy: -77.580
bonds (distance) P-C4' energy: -81.557
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: 6.750
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1691.193588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.193588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.193588 (E_RNA)
where:
Base-Base interactions energy: -1163.192
where: short stacking energy: -503.414
Base-Backbone interact. energy: -3.172
local terms energy: -524.829657
where:
bonds (distance) C4'-P energy: -94.500
bonds (distance) P-C4' energy: -98.325
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -73.904
tors. eta vs tors. theta energy: -150.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1585.731011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.731011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.731011 (E_RNA)
where:
Base-Base interactions energy: -1077.191
where: short stacking energy: -487.181
Base-Backbone interact. energy: 1.447
local terms energy: -509.987450
where:
bonds (distance) C4'-P energy: -95.163
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -106.898
flat angles P-C4'-P energy: -73.779
tors. eta vs tors. theta energy: -131.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1469.477188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.477188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.477188 (E_RNA)
where:
Base-Base interactions energy: -973.453
where: short stacking energy: -421.701
Base-Backbone interact. energy: -2.950
local terms energy: -493.073744
where:
bonds (distance) C4'-P energy: -98.709
bonds (distance) P-C4' energy: -105.079
flat angles C4'-P-C4' energy: -104.259
flat angles P-C4'-P energy: -71.498
tors. eta vs tors. theta energy: -113.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1352.100102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.100102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.100102 (E_RNA)
where:
Base-Base interactions energy: -932.762
where: short stacking energy: -414.374
Base-Backbone interact. energy: -2.684
local terms energy: -416.654614
where:
bonds (distance) C4'-P energy: -77.040
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -53.958
tors. eta vs tors. theta energy: -101.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1259.832757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.832757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.832757 (E_RNA)
where:
Base-Base interactions energy: -832.846
where: short stacking energy: -369.642
Base-Backbone interact. energy: -0.561
local terms energy: -426.426303
where:
bonds (distance) C4'-P energy: -101.190
bonds (distance) P-C4' energy: -81.443
flat angles C4'-P-C4' energy: -109.364
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -85.578
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1105.065857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.065857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.065857 (E_RNA)
where:
Base-Base interactions energy: -714.693
where: short stacking energy: -337.196
Base-Backbone interact. energy: -0.686
local terms energy: -389.686172
where:
bonds (distance) C4'-P energy: -82.654
bonds (distance) P-C4' energy: -79.029
flat angles C4'-P-C4' energy: -93.473
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -81.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -965.542181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.542181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.542181 (E_RNA)
where:
Base-Base interactions energy: -629.389
where: short stacking energy: -308.304
Base-Backbone interact. energy: 0.405
local terms energy: -336.558769
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -77.352
flat angles C4'-P-C4' energy: -87.800
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -66.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -745.573080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.573080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.573080 (E_RNA)
where:
Base-Base interactions energy: -400.268
where: short stacking energy: -222.325
Base-Backbone interact. energy: -2.487
local terms energy: -342.818617
where:
bonds (distance) C4'-P energy: -88.144
bonds (distance) P-C4' energy: -94.346
flat angles C4'-P-C4' energy: -89.201
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -615.929229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.929229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.929229 (E_RNA)
where:
Base-Base interactions energy: -319.217
where: short stacking energy: -160.798
Base-Backbone interact. energy: -1.260
local terms energy: -295.451427
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -90.540
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -45.551
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -520.541849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.541849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.541849 (E_RNA)
where:
Base-Base interactions energy: -246.339
where: short stacking energy: -161.006
Base-Backbone interact. energy: -2.041
local terms energy: -272.162183
where:
bonds (distance) C4'-P energy: -72.241
bonds (distance) P-C4' energy: -89.251
flat angles C4'-P-C4' energy: -69.935
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1695.806344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.806344 (E_RNA)
where:
Base-Base interactions energy: -1182.723
where: short stacking energy: -531.475
Base-Backbone interact. energy: -2.507
local terms energy: -510.576073
where:
bonds (distance) C4'-P energy: -101.359
bonds (distance) P-C4' energy: -91.717
flat angles C4'-P-C4' energy: -105.858
flat angles P-C4'-P energy: -65.763
tors. eta vs tors. theta energy: -145.879
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: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1577.590959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.590959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.590959 (E_RNA)
where:
Base-Base interactions energy: -1045.661
where: short stacking energy: -462.550
Base-Backbone interact. energy: -2.347
local terms energy: -529.583025
where:
bonds (distance) C4'-P energy: -100.004
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -115.264
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -140.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1457.977651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.977651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.977651 (E_RNA)
where:
Base-Base interactions energy: -995.805
where: short stacking energy: -422.602
Base-Backbone interact. energy: -1.359
local terms energy: -460.812886
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -100.252
flat angles P-C4'-P energy: -64.827
tors. eta vs tors. theta energy: -97.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1360.505442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.505442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.505442 (E_RNA)
where:
Base-Base interactions energy: -936.584
where: short stacking energy: -399.564
Base-Backbone interact. energy: -1.953
local terms energy: -421.968706
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -96.720
flat angles C4'-P-C4' energy: -85.198
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -109.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1266.745436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.745436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.745436 (E_RNA)
where:
Base-Base interactions energy: -840.251
where: short stacking energy: -357.290
Base-Backbone interact. energy: -1.478
local terms energy: -425.016015
where:
bonds (distance) C4'-P energy: -82.714
bonds (distance) P-C4' energy: -87.505
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -64.586
tors. eta vs tors. theta energy: -97.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1097.123666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.123666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.123666 (E_RNA)
where:
Base-Base interactions energy: -705.145
where: short stacking energy: -339.456
Base-Backbone interact. energy: 2.183
local terms energy: -394.161668
where:
bonds (distance) C4'-P energy: -74.702
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -89.070
flat angles P-C4'-P energy: -61.730
tors. eta vs tors. theta energy: -78.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -942.975043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.975043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.975043 (E_RNA)
where:
Base-Base interactions energy: -572.565
where: short stacking energy: -270.994
Base-Backbone interact. energy: 0.701
local terms energy: -371.111033
where:
bonds (distance) C4'-P energy: -97.391
bonds (distance) P-C4' energy: -99.585
flat angles C4'-P-C4' energy: -73.702
flat angles P-C4'-P energy: -53.616
tors. eta vs tors. theta energy: -46.817
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: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -705.215515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.215515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.215515 (E_RNA)
where:
Base-Base interactions energy: -404.593
where: short stacking energy: -211.602
Base-Backbone interact. energy: 0.354
local terms energy: -300.975993
where:
bonds (distance) C4'-P energy: -85.646
bonds (distance) P-C4' energy: -63.643
flat angles C4'-P-C4' energy: -69.702
flat angles P-C4'-P energy: -60.580
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -633.780059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.780059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.780059 (E_RNA)
where:
Base-Base interactions energy: -351.005
where: short stacking energy: -198.810
Base-Backbone interact. energy: 2.442
local terms energy: -285.217260
where:
bonds (distance) C4'-P energy: -73.644
bonds (distance) P-C4' energy: -72.553
flat angles C4'-P-C4' energy: -79.462
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -14.363
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: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -512.143144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.143144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.143144 (E_RNA)
where:
Base-Base interactions energy: -232.194
where: short stacking energy: -134.791
Base-Backbone interact. energy: -0.072
local terms energy: -279.877385
where:
bonds (distance) C4'-P energy: -74.293
bonds (distance) P-C4' energy: -96.642
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: 3.486
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: 61
Temperature: 0.900000
Total energy: -1699.935131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.935131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.935131 (E_RNA)
where:
Base-Base interactions energy: -1159.820
where: short stacking energy: -510.992
Base-Backbone interact. energy: 2.156
local terms energy: -542.271153
where:
bonds (distance) C4'-P energy: -104.179
bonds (distance) P-C4' energy: -102.220
flat angles C4'-P-C4' energy: -111.979
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -150.876
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: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1534.056368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.056368 (E_RNA)
where:
Base-Base interactions energy: -1027.800
where: short stacking energy: -459.757
Base-Backbone interact. energy: -0.183
local terms energy: -506.073272
where:
bonds (distance) C4'-P energy: -95.153
bonds (distance) P-C4' energy: -102.584
flat angles C4'-P-C4' energy: -105.151
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -137.599
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: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1506.290549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.290549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.290549 (E_RNA)
where:
Base-Base interactions energy: -1025.804
where: short stacking energy: -433.580
Base-Backbone interact. energy: 6.648
local terms energy: -487.134318
where:
bonds (distance) C4'-P energy: -102.279
bonds (distance) P-C4' energy: -89.247
flat angles C4'-P-C4' energy: -106.997
flat angles P-C4'-P energy: -73.540
tors. eta vs tors. theta energy: -115.071
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1330.159892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.159892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.159892 (E_RNA)
where:
Base-Base interactions energy: -886.412
where: short stacking energy: -390.594
Base-Backbone interact. energy: -3.432
local terms energy: -440.316163
where:
bonds (distance) C4'-P energy: -89.061
bonds (distance) P-C4' energy: -90.375
flat angles C4'-P-C4' energy: -105.045
flat angles P-C4'-P energy: -63.233
tors. eta vs tors. theta energy: -92.603
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: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1264.831535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.831535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.831535 (E_RNA)
where:
Base-Base interactions energy: -846.610
where: short stacking energy: -381.597
Base-Backbone interact. energy: -0.090
local terms energy: -418.131767
where:
bonds (distance) C4'-P energy: -81.949
bonds (distance) P-C4' energy: -85.215
flat angles C4'-P-C4' energy: -89.528
flat angles P-C4'-P energy: -68.318
tors. eta vs tors. theta energy: -93.122
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: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1070.670557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.670557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.670557 (E_RNA)
where:
Base-Base interactions energy: -665.967
where: short stacking energy: -341.202
Base-Backbone interact. energy: -2.867
local terms energy: -401.837186
where:
bonds (distance) C4'-P energy: -80.148
bonds (distance) P-C4' energy: -80.341
flat angles C4'-P-C4' energy: -93.489
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -90.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -981.086656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.086656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.086656 (E_RNA)
where:
Base-Base interactions energy: -613.326
where: short stacking energy: -289.191
Base-Backbone interact. energy: -0.749
local terms energy: -367.011869
where:
bonds (distance) C4'-P energy: -84.863
bonds (distance) P-C4' energy: -79.753
flat angles C4'-P-C4' energy: -88.369
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -69.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -707.563050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.563050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.563050 (E_RNA)
where:
Base-Base interactions energy: -395.096
where: short stacking energy: -217.604
Base-Backbone interact. energy: -4.776
local terms energy: -307.691770
where:
bonds (distance) C4'-P energy: -76.535
bonds (distance) P-C4' energy: -90.788
flat angles C4'-P-C4' energy: -77.611
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -683.673478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.673478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.673478 (E_RNA)
where:
Base-Base interactions energy: -389.705
where: short stacking energy: -212.869
Base-Backbone interact. energy: 1.501
local terms energy: -295.468823
where:
bonds (distance) C4'-P energy: -90.149
bonds (distance) P-C4' energy: -78.788
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -27.455
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: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -538.348247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.348247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.348247 (E_RNA)
where:
Base-Base interactions energy: -257.582
where: short stacking energy: -143.499
Base-Backbone interact. energy: -0.787
local terms energy: -279.979018
where:
bonds (distance) C4'-P energy: -80.819
bonds (distance) P-C4' energy: -92.003
flat angles C4'-P-C4' energy: -53.499
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -7.386
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: 62
Temperature: 0.900000
Total energy: -1645.435236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.435236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.435236 (E_RNA)
where:
Base-Base interactions energy: -1138.040
where: short stacking energy: -500.530
Base-Backbone interact. energy: -1.121
local terms energy: -506.274253
where:
bonds (distance) C4'-P energy: -88.503
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -107.437
flat angles P-C4'-P energy: -68.949
tors. eta vs tors. theta energy: -146.784
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: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1514.794772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.794772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.794772 (E_RNA)
where:
Base-Base interactions energy: -1012.871
where: short stacking energy: -443.407
Base-Backbone interact. energy: -2.603
local terms energy: -499.320229
where:
bonds (distance) C4'-P energy: -100.999
bonds (distance) P-C4' energy: -98.125
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -119.954
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: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1467.199431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.199431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.199431 (E_RNA)
where:
Base-Base interactions energy: -1000.735
where: short stacking energy: -419.336
Base-Backbone interact. energy: -1.777
local terms energy: -464.687527
where:
bonds (distance) C4'-P energy: -95.015
bonds (distance) P-C4' energy: -94.180
flat angles C4'-P-C4' energy: -95.675
flat angles P-C4'-P energy: -72.618
tors. eta vs tors. theta energy: -107.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1313.716957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.716957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.716957 (E_RNA)
where:
Base-Base interactions energy: -884.865
where: short stacking energy: -387.368
Base-Backbone interact. energy: -0.833
local terms energy: -428.018577
where:
bonds (distance) C4'-P energy: -79.521
bonds (distance) P-C4' energy: -100.346
flat angles C4'-P-C4' energy: -95.956
flat angles P-C4'-P energy: -62.637
tors. eta vs tors. theta energy: -89.560
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1279.265773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.265773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.265773 (E_RNA)
where:
Base-Base interactions energy: -834.517
where: short stacking energy: -362.166
Base-Backbone interact. energy: 0.204
local terms energy: -444.952793
where:
bonds (distance) C4'-P energy: -86.398
bonds (distance) P-C4' energy: -93.702
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -75.014
tors. eta vs tors. theta energy: -104.878
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: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1066.506133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.506133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.506133 (E_RNA)
where:
Base-Base interactions energy: -677.552
where: short stacking energy: -319.887
Base-Backbone interact. energy: -2.903
local terms energy: -386.050987
where:
bonds (distance) C4'-P energy: -78.009
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -81.666
flat angles P-C4'-P energy: -53.236
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -938.383519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.383519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.383519 (E_RNA)
where:
Base-Base interactions energy: -565.011
where: short stacking energy: -279.008
Base-Backbone interact. energy: -4.087
local terms energy: -369.285201
where:
bonds (distance) C4'-P energy: -74.566
bonds (distance) P-C4' energy: -101.112
flat angles C4'-P-C4' energy: -88.649
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -64.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -718.251616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.251616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.251616 (E_RNA)
where:
Base-Base interactions energy: -390.617
where: short stacking energy: -223.511
Base-Backbone interact. energy: -0.802
local terms energy: -326.832333
where:
bonds (distance) C4'-P energy: -74.130
bonds (distance) P-C4' energy: -86.323
flat angles C4'-P-C4' energy: -85.596
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -29.033
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -622.919000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.919000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.919000 (E_RNA)
where:
Base-Base interactions energy: -334.009
where: short stacking energy: -190.243
Base-Backbone interact. energy: -1.076
local terms energy: -287.834891
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -100.393
flat angles C4'-P-C4' energy: -84.937
flat angles P-C4'-P energy: -33.311
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -486.621614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.621614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.621614 (E_RNA)
where:
Base-Base interactions energy: -228.879
where: short stacking energy: -153.061
Base-Backbone interact. energy: 0.333
local terms energy: -258.076002
where:
bonds (distance) C4'-P energy: -66.682
bonds (distance) P-C4' energy: -90.661
flat angles C4'-P-C4' energy: -71.978
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: 13.859
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: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1698.388032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.388032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.388032 (E_RNA)
where:
Base-Base interactions energy: -1178.511
where: short stacking energy: -517.521
Base-Backbone interact. energy: -1.777
local terms energy: -518.099876
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -103.317
flat angles C4'-P-C4' energy: -112.687
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: -142.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1588.857627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.857627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.857627 (E_RNA)
where:
Base-Base interactions energy: -1067.757
where: short stacking energy: -460.384
Base-Backbone interact. energy: -3.166
local terms energy: -517.934736
where:
bonds (distance) C4'-P energy: -96.848
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -108.780
flat angles P-C4'-P energy: -70.318
tors. eta vs tors. theta energy: -132.065
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: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1430.213902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.213902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.213902 (E_RNA)
where:
Base-Base interactions energy: -985.100
where: short stacking energy: -420.941
Base-Backbone interact. energy: -3.868
local terms energy: -441.245920
where:
bonds (distance) C4'-P energy: -92.196
bonds (distance) P-C4' energy: -95.751
flat angles C4'-P-C4' energy: -90.605
flat angles P-C4'-P energy: -63.360
tors. eta vs tors. theta energy: -99.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1365.237502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.237502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.237502 (E_RNA)
where:
Base-Base interactions energy: -880.703
where: short stacking energy: -421.787
Base-Backbone interact. energy: -0.819
local terms energy: -483.715699
where:
bonds (distance) C4'-P energy: -104.105
bonds (distance) P-C4' energy: -101.918
flat angles C4'-P-C4' energy: -96.357
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -122.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1258.250827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.250827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.250827 (E_RNA)
where:
Base-Base interactions energy: -849.798
where: short stacking energy: -360.941
Base-Backbone interact. energy: -0.487
local terms energy: -407.965052
where:
bonds (distance) C4'-P energy: -83.625
bonds (distance) P-C4' energy: -82.878
flat angles C4'-P-C4' energy: -94.916
flat angles P-C4'-P energy: -59.323
tors. eta vs tors. theta energy: -87.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1003.842477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.842477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.842477 (E_RNA)
where:
Base-Base interactions energy: -606.678
where: short stacking energy: -285.946
Base-Backbone interact. energy: -2.989
local terms energy: -394.175714
where:
bonds (distance) C4'-P energy: -90.595
bonds (distance) P-C4' energy: -97.687
flat angles C4'-P-C4' energy: -85.064
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: -70.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -973.485044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.485044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.485044 (E_RNA)
where:
Base-Base interactions energy: -601.480
where: short stacking energy: -273.820
Base-Backbone interact. energy: -0.892
local terms energy: -371.112374
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -87.841
flat angles C4'-P-C4' energy: -82.192
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -56.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -716.355388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.355388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.355388 (E_RNA)
where:
Base-Base interactions energy: -422.187
where: short stacking energy: -246.720
Base-Backbone interact. energy: 1.031
local terms energy: -295.199048
where:
bonds (distance) C4'-P energy: -65.314
bonds (distance) P-C4' energy: -72.783
flat angles C4'-P-C4' energy: -76.500
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -39.166
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: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -681.852059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.852059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.852059 (E_RNA)
where:
Base-Base interactions energy: -374.499
where: short stacking energy: -186.864
Base-Backbone interact. energy: -2.187
local terms energy: -305.165761
where:
bonds (distance) C4'-P energy: -71.693
bonds (distance) P-C4' energy: -81.947
flat angles C4'-P-C4' energy: -81.205
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -24.804
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: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -479.832389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.832389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.832389 (E_RNA)
where:
Base-Base interactions energy: -219.245
where: short stacking energy: -136.397
Base-Backbone interact. energy: 2.975
local terms energy: -263.562675
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -83.851
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -2.328
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: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1683.833692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.833692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.833692 (E_RNA)
where:
Base-Base interactions energy: -1160.466
where: short stacking energy: -507.252
Base-Backbone interact. energy: -3.392
local terms energy: -519.976299
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -104.155
flat angles C4'-P-C4' energy: -119.833
flat angles P-C4'-P energy: -63.603
tors. eta vs tors. theta energy: -143.904
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: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1564.924452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.924452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.924452 (E_RNA)
where:
Base-Base interactions energy: -1072.384
where: short stacking energy: -468.144
Base-Backbone interact. energy: -6.173
local terms energy: -486.367817
where:
bonds (distance) C4'-P energy: -84.260
bonds (distance) P-C4' energy: -96.762
flat angles C4'-P-C4' energy: -105.228
flat angles P-C4'-P energy: -70.029
tors. eta vs tors. theta energy: -130.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1447.467807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.467807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.467807 (E_RNA)
where:
Base-Base interactions energy: -966.907
where: short stacking energy: -411.473
Base-Backbone interact. energy: -0.735
local terms energy: -479.825525
where:
bonds (distance) C4'-P energy: -99.678
bonds (distance) P-C4' energy: -98.970
flat angles C4'-P-C4' energy: -108.356
flat angles P-C4'-P energy: -60.831
tors. eta vs tors. theta energy: -111.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1345.619884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.619884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.619884 (E_RNA)
where:
Base-Base interactions energy: -886.561
where: short stacking energy: -410.099
Base-Backbone interact. energy: -0.803
local terms energy: -458.255185
where:
bonds (distance) C4'-P energy: -99.078
bonds (distance) P-C4' energy: -89.862
flat angles C4'-P-C4' energy: -97.444
flat angles P-C4'-P energy: -63.520
tors. eta vs tors. theta energy: -108.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1286.177416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.177416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.177416 (E_RNA)
where:
Base-Base interactions energy: -840.223
where: short stacking energy: -405.418
Base-Backbone interact. energy: 1.699
local terms energy: -447.652816
where:
bonds (distance) C4'-P energy: -96.259
bonds (distance) P-C4' energy: -85.293
flat angles C4'-P-C4' energy: -105.388
flat angles P-C4'-P energy: -70.012
tors. eta vs tors. theta energy: -90.700
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1065.088403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.088403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.088403 (E_RNA)
where:
Base-Base interactions energy: -664.677
where: short stacking energy: -304.326
Base-Backbone interact. energy: -4.634
local terms energy: -395.776777
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -87.511
flat angles C4'-P-C4' energy: -91.545
flat angles P-C4'-P energy: -60.498
tors. eta vs tors. theta energy: -69.557
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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -983.118689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.118689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.118689 (E_RNA)
where:
Base-Base interactions energy: -590.423
where: short stacking energy: -281.580
Base-Backbone interact. energy: 1.504
local terms energy: -394.200008
where:
bonds (distance) C4'-P energy: -74.106
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -88.038
flat angles P-C4'-P energy: -68.132
tors. eta vs tors. theta energy: -63.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -729.456793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.456793 (E_RNA)
where:
Base-Base interactions energy: -413.391
where: short stacking energy: -217.172
Base-Backbone interact. energy: -3.304
local terms energy: -312.761542
where:
bonds (distance) C4'-P energy: -63.191
bonds (distance) P-C4' energy: -71.178
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -40.058
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -622.146717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.146717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.146717 (E_RNA)
where:
Base-Base interactions energy: -339.325
where: short stacking energy: -180.067
Base-Backbone interact. energy: -0.702
local terms energy: -282.119628
where:
bonds (distance) C4'-P energy: -89.803
bonds (distance) P-C4' energy: -91.572
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: 3.791
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: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -478.295551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.295551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.295551 (E_RNA)
where:
Base-Base interactions energy: -212.942
where: short stacking energy: -124.010
Base-Backbone interact. energy: 8.392
local terms energy: -273.745461
where:
bonds (distance) C4'-P energy: -92.280
bonds (distance) P-C4' energy: -69.769
flat angles C4'-P-C4' energy: -66.874
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: 11.559
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: 65
Temperature: 0.900000
Total energy: -1658.120537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.120537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.120537 (E_RNA)
where:
Base-Base interactions energy: -1136.550
where: short stacking energy: -497.321
Base-Backbone interact. energy: -1.824
local terms energy: -519.746603
where:
bonds (distance) C4'-P energy: -93.841
bonds (distance) P-C4' energy: -100.145
flat angles C4'-P-C4' energy: -105.391
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -137.780
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1530.225540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.225540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.225540 (E_RNA)
where:
Base-Base interactions energy: -1015.737
where: short stacking energy: -432.119
Base-Backbone interact. energy: -0.560
local terms energy: -513.927843
where:
bonds (distance) C4'-P energy: -97.796
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -109.479
flat angles P-C4'-P energy: -71.884
tors. eta vs tors. theta energy: -130.539
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1414.093413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.093413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.093413 (E_RNA)
where:
Base-Base interactions energy: -933.235
where: short stacking energy: -410.008
Base-Backbone interact. energy: -0.307
local terms energy: -480.552153
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -108.057
flat angles P-C4'-P energy: -75.506
tors. eta vs tors. theta energy: -105.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1328.773042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.773042 (E_RNA)
where:
Base-Base interactions energy: -906.882
where: short stacking energy: -391.814
Base-Backbone interact. energy: -2.851
local terms energy: -419.039273
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -82.630
flat angles C4'-P-C4' energy: -107.634
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: -102.473
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: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1271.435063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.435063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.435063 (E_RNA)
where:
Base-Base interactions energy: -846.126
where: short stacking energy: -399.715
Base-Backbone interact. energy: 0.643
local terms energy: -425.951811
where:
bonds (distance) C4'-P energy: -84.685
bonds (distance) P-C4' energy: -68.996
flat angles C4'-P-C4' energy: -104.578
flat angles P-C4'-P energy: -61.467
tors. eta vs tors. theta energy: -106.226
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: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1071.144822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.144822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.144822 (E_RNA)
where:
Base-Base interactions energy: -718.720
where: short stacking energy: -306.922
Base-Backbone interact. energy: 3.322
local terms energy: -355.746805
where:
bonds (distance) C4'-P energy: -79.418
bonds (distance) P-C4' energy: -91.541
flat angles C4'-P-C4' energy: -80.222
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -62.963
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: 65
Temperature: 1.200000
Total energy: -1023.810401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.810401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.810401 (E_RNA)
where:
Base-Base interactions energy: -642.821
where: short stacking energy: -305.448
Base-Backbone interact. energy: -2.405
local terms energy: -378.583810
where:
bonds (distance) C4'-P energy: -64.966
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -95.192
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -74.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -772.749577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.749577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.749577 (E_RNA)
where:
Base-Base interactions energy: -471.863
where: short stacking energy: -254.039
Base-Backbone interact. energy: 2.259
local terms energy: -303.145200
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -77.815
flat angles P-C4'-P energy: -45.281
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -672.448953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.448953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.448953 (E_RNA)
where:
Base-Base interactions energy: -355.741
where: short stacking energy: -209.775
Base-Backbone interact. energy: -0.911
local terms energy: -315.796713
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -80.239
flat angles P-C4'-P energy: -46.572
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -511.158123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.158123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.158123 (E_RNA)
where:
Base-Base interactions energy: -247.710
where: short stacking energy: -157.811
Base-Backbone interact. energy: 3.215
local terms energy: -266.663063
where:
bonds (distance) C4'-P energy: -81.995
bonds (distance) P-C4' energy: -88.711
flat angles C4'-P-C4' energy: -68.470
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: 2.361
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: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1673.455696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.455696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.455696 (E_RNA)
where:
Base-Base interactions energy: -1151.874
where: short stacking energy: -508.405
Base-Backbone interact. energy: -0.133
local terms energy: -521.448737
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -84.090
flat angles C4'-P-C4' energy: -117.494
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -145.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1521.324931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.324931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.324931 (E_RNA)
where:
Base-Base interactions energy: -1024.779
where: short stacking energy: -454.564
Base-Backbone interact. energy: -4.033
local terms energy: -492.512649
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -113.412
flat angles P-C4'-P energy: -71.736
tors. eta vs tors. theta energy: -123.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1456.209617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.209617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.209617 (E_RNA)
where:
Base-Base interactions energy: -970.446
where: short stacking energy: -437.274
Base-Backbone interact. energy: -2.015
local terms energy: -483.749054
where:
bonds (distance) C4'-P energy: -96.694
bonds (distance) P-C4' energy: -95.120
flat angles C4'-P-C4' energy: -106.429
flat angles P-C4'-P energy: -61.328
tors. eta vs tors. theta energy: -124.178
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1324.205697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.205697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.205697 (E_RNA)
where:
Base-Base interactions energy: -874.062
where: short stacking energy: -386.604
Base-Backbone interact. energy: 0.295
local terms energy: -450.438935
where:
bonds (distance) C4'-P energy: -100.265
bonds (distance) P-C4' energy: -90.487
flat angles C4'-P-C4' energy: -97.848
flat angles P-C4'-P energy: -61.918
tors. eta vs tors. theta energy: -99.921
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: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1259.258790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.258790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.258790 (E_RNA)
where:
Base-Base interactions energy: -871.321
where: short stacking energy: -388.407
Base-Backbone interact. energy: -2.447
local terms energy: -385.490762
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -83.969
flat angles C4'-P-C4' energy: -79.767
flat angles P-C4'-P energy: -53.036
tors. eta vs tors. theta energy: -89.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1112.252166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.252166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.252166 (E_RNA)
where:
Base-Base interactions energy: -721.485
where: short stacking energy: -321.092
Base-Backbone interact. energy: -4.481
local terms energy: -386.286624
where:
bonds (distance) C4'-P energy: -87.429
bonds (distance) P-C4' energy: -90.759
flat angles C4'-P-C4' energy: -83.509
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -75.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1005.559455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.559455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.559455 (E_RNA)
where:
Base-Base interactions energy: -629.779
where: short stacking energy: -307.475
Base-Backbone interact. energy: -2.227
local terms energy: -373.553279
where:
bonds (distance) C4'-P energy: -61.840
bonds (distance) P-C4' energy: -88.573
flat angles C4'-P-C4' energy: -97.588
flat angles P-C4'-P energy: -56.311
tors. eta vs tors. theta energy: -69.241
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: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -779.801669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.801669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.801669 (E_RNA)
where:
Base-Base interactions energy: -434.045
where: short stacking energy: -239.193
Base-Backbone interact. energy: 0.702
local terms energy: -346.458637
where:
bonds (distance) C4'-P energy: -75.572
bonds (distance) P-C4' energy: -97.542
flat angles C4'-P-C4' energy: -92.789
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -46.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -671.036320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.036320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.036320 (E_RNA)
where:
Base-Base interactions energy: -359.364
where: short stacking energy: -204.395
Base-Backbone interact. energy: 0.040
local terms energy: -311.712071
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -88.765
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -32.884
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: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -559.460007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.460007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.460007 (E_RNA)
where:
Base-Base interactions energy: -292.997
where: short stacking energy: -156.050
Base-Backbone interact. energy: 6.077
local terms energy: -272.539943
where:
bonds (distance) C4'-P energy: -76.025
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1672.030136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.030136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.030136 (E_RNA)
where:
Base-Base interactions energy: -1137.767
where: short stacking energy: -509.955
Base-Backbone interact. energy: -1.005
local terms energy: -533.258979
where:
bonds (distance) C4'-P energy: -99.399
bonds (distance) P-C4' energy: -98.203
flat angles C4'-P-C4' energy: -115.006
flat angles P-C4'-P energy: -81.782
tors. eta vs tors. theta energy: -138.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1542.429524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.429524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.429524 (E_RNA)
where:
Base-Base interactions energy: -1046.180
where: short stacking energy: -463.149
Base-Backbone interact. energy: 0.397
local terms energy: -496.646588
where:
bonds (distance) C4'-P energy: -96.927
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -109.871
flat angles P-C4'-P energy: -73.091
tors. eta vs tors. theta energy: -123.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1437.352691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.352691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.352691 (E_RNA)
where:
Base-Base interactions energy: -978.054
where: short stacking energy: -422.512
Base-Backbone interact. energy: -1.677
local terms energy: -457.621546
where:
bonds (distance) C4'-P energy: -86.586
bonds (distance) P-C4' energy: -87.071
flat angles C4'-P-C4' energy: -101.163
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: -115.681
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: 67
Temperature: 1.050000
Total energy: -1322.820254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.820254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.820254 (E_RNA)
where:
Base-Base interactions energy: -908.257
where: short stacking energy: -371.241
Base-Backbone interact. energy: 3.035
local terms energy: -417.598612
where:
bonds (distance) C4'-P energy: -89.189
bonds (distance) P-C4' energy: -91.431
flat angles C4'-P-C4' energy: -93.349
flat angles P-C4'-P energy: -55.167
tors. eta vs tors. theta energy: -88.463
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: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1233.707573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.707573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.707573 (E_RNA)
where:
Base-Base interactions energy: -816.254
where: short stacking energy: -370.872
Base-Backbone interact. energy: -3.387
local terms energy: -414.066585
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -90.425
flat angles C4'-P-C4' energy: -92.396
flat angles P-C4'-P energy: -49.573
tors. eta vs tors. theta energy: -96.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1142.177379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.177379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.177379 (E_RNA)
where:
Base-Base interactions energy: -741.234
where: short stacking energy: -359.824
Base-Backbone interact. energy: -0.198
local terms energy: -400.746000
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -84.709
flat angles C4'-P-C4' energy: -91.390
flat angles P-C4'-P energy: -60.050
tors. eta vs tors. theta energy: -99.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1021.987134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.987134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.987134 (E_RNA)
where:
Base-Base interactions energy: -639.121
where: short stacking energy: -299.591
Base-Backbone interact. energy: -0.313
local terms energy: -382.552773
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -95.095
flat angles C4'-P-C4' energy: -82.377
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: -73.450
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: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -796.271234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.271234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.271234 (E_RNA)
where:
Base-Base interactions energy: -457.874
where: short stacking energy: -237.291
Base-Backbone interact. energy: -1.543
local terms energy: -336.854368
where:
bonds (distance) C4'-P energy: -73.218
bonds (distance) P-C4' energy: -88.677
flat angles C4'-P-C4' energy: -76.228
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -39.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -645.516221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.516221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.516221 (E_RNA)
where:
Base-Base interactions energy: -378.642
where: short stacking energy: -195.874
Base-Backbone interact. energy: 5.250
local terms energy: -272.124257
where:
bonds (distance) C4'-P energy: -79.405
bonds (distance) P-C4' energy: -75.607
flat angles C4'-P-C4' energy: -79.576
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: 10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -541.816839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.816839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.816839 (E_RNA)
where:
Base-Base interactions energy: -270.724
where: short stacking energy: -149.145
Base-Backbone interact. energy: 0.331
local terms energy: -271.423350
where:
bonds (distance) C4'-P energy: -75.369
bonds (distance) P-C4' energy: -89.904
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: 3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1680.006060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.006060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.006060 (E_RNA)
where:
Base-Base interactions energy: -1151.537
where: short stacking energy: -489.496
Base-Backbone interact. energy: -1.601
local terms energy: -526.867598
where:
bonds (distance) C4'-P energy: -102.070
bonds (distance) P-C4' energy: -106.817
flat angles C4'-P-C4' energy: -109.090
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -131.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1561.059091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.059091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.059091 (E_RNA)
where:
Base-Base interactions energy: -1064.047
where: short stacking energy: -495.084
Base-Backbone interact. energy: 3.372
local terms energy: -500.384429
where:
bonds (distance) C4'-P energy: -87.212
bonds (distance) P-C4' energy: -94.534
flat angles C4'-P-C4' energy: -104.613
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -143.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1431.105593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.105593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.105593 (E_RNA)
where:
Base-Base interactions energy: -961.890
where: short stacking energy: -415.308
Base-Backbone interact. energy: -0.952
local terms energy: -468.263632
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -96.344
flat angles C4'-P-C4' energy: -102.632
flat angles P-C4'-P energy: -65.824
tors. eta vs tors. theta energy: -108.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1321.432305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.432305 (E_RNA)
where:
Base-Base interactions energy: -911.977
where: short stacking energy: -368.122
Base-Backbone interact. energy: -2.903
local terms energy: -406.552147
where:
bonds (distance) C4'-P energy: -83.999
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -86.713
flat angles P-C4'-P energy: -57.353
tors. eta vs tors. theta energy: -87.383
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: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1265.391601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.391601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.391601 (E_RNA)
where:
Base-Base interactions energy: -850.784
where: short stacking energy: -391.419
Base-Backbone interact. energy: 0.530
local terms energy: -415.137790
where:
bonds (distance) C4'-P energy: -69.542
bonds (distance) P-C4' energy: -100.503
flat angles C4'-P-C4' energy: -96.225
flat angles P-C4'-P energy: -55.534
tors. eta vs tors. theta energy: -93.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1099.051198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.051198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.051198 (E_RNA)
where:
Base-Base interactions energy: -716.741
where: short stacking energy: -349.178
Base-Backbone interact. energy: 0.846
local terms energy: -383.156252
where:
bonds (distance) C4'-P energy: -92.051
bonds (distance) P-C4' energy: -71.328
flat angles C4'-P-C4' energy: -89.194
flat angles P-C4'-P energy: -51.153
tors. eta vs tors. theta energy: -79.430
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: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1038.175456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.175456 (E_RNA)
where:
Base-Base interactions energy: -633.000
where: short stacking energy: -315.914
Base-Backbone interact. energy: -1.437
local terms energy: -403.738544
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -92.504
flat angles C4'-P-C4' energy: -106.428
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -82.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -814.355030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.355030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.355030 (E_RNA)
where:
Base-Base interactions energy: -484.213
where: short stacking energy: -257.897
Base-Backbone interact. energy: 4.343
local terms energy: -334.484795
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -87.074
flat angles C4'-P-C4' energy: -94.988
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -35.625
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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -656.965450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.965450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.965450 (E_RNA)
where:
Base-Base interactions energy: -369.117
where: short stacking energy: -206.758
Base-Backbone interact. energy: 1.608
local terms energy: -289.456720
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -73.647
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -24.754
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: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -561.055538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.055538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.055538 (E_RNA)
where:
Base-Base interactions energy: -307.391
where: short stacking energy: -138.058
Base-Backbone interact. energy: 0.806
local terms energy: -254.470871
where:
bonds (distance) C4'-P energy: -63.599
bonds (distance) P-C4' energy: -86.460
flat angles C4'-P-C4' energy: -72.109
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: 5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1679.478339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.478339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.478339 (E_RNA)
where:
Base-Base interactions energy: -1147.224
where: short stacking energy: -504.038
Base-Backbone interact. energy: -2.591
local terms energy: -529.663763
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -114.508
flat angles C4'-P-C4' energy: -108.292
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -141.154
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1588.131073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.131073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.131073 (E_RNA)
where:
Base-Base interactions energy: -1108.355
where: short stacking energy: -476.586
Base-Backbone interact. energy: -1.178
local terms energy: -478.598196
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -90.421
flat angles C4'-P-C4' energy: -100.846
flat angles P-C4'-P energy: -63.304
tors. eta vs tors. theta energy: -135.714
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: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1438.795601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.795601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.795601 (E_RNA)
where:
Base-Base interactions energy: -957.883
where: short stacking energy: -441.557
Base-Backbone interact. energy: -2.614
local terms energy: -478.298750
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -100.077
flat angles C4'-P-C4' energy: -104.899
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -117.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1305.731596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.731596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.731596 (E_RNA)
where:
Base-Base interactions energy: -864.924
where: short stacking energy: -381.394
Base-Backbone interact. energy: -1.435
local terms energy: -439.371704
where:
bonds (distance) C4'-P energy: -86.277
bonds (distance) P-C4' energy: -94.956
flat angles C4'-P-C4' energy: -101.325
flat angles P-C4'-P energy: -51.776
tors. eta vs tors. theta energy: -105.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1278.153250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.153250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.153250 (E_RNA)
where:
Base-Base interactions energy: -837.394
where: short stacking energy: -384.300
Base-Backbone interact. energy: 3.070
local terms energy: -443.829167
where:
bonds (distance) C4'-P energy: -100.380
bonds (distance) P-C4' energy: -90.904
flat angles C4'-P-C4' energy: -90.208
flat angles P-C4'-P energy: -68.063
tors. eta vs tors. theta energy: -94.275
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1070.192797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.192797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.192797 (E_RNA)
where:
Base-Base interactions energy: -687.000
where: short stacking energy: -322.221
Base-Backbone interact. energy: -1.695
local terms energy: -381.497748
where:
bonds (distance) C4'-P energy: -76.181
bonds (distance) P-C4' energy: -90.908
flat angles C4'-P-C4' energy: -78.092
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -83.564
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1020.083737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.083737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.083737 (E_RNA)
where:
Base-Base interactions energy: -675.230
where: short stacking energy: -318.507
Base-Backbone interact. energy: 4.635
local terms energy: -349.488933
where:
bonds (distance) C4'-P energy: -72.894
bonds (distance) P-C4' energy: -88.010
flat angles C4'-P-C4' energy: -72.742
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -62.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -813.782446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.782446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.782446 (E_RNA)
where:
Base-Base interactions energy: -489.300
where: short stacking energy: -237.224
Base-Backbone interact. energy: -1.716
local terms energy: -322.766671
where:
bonds (distance) C4'-P energy: -72.835
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -47.387
tors. eta vs tors. theta energy: -40.810
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: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -677.782875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.782875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.782875 (E_RNA)
where:
Base-Base interactions energy: -368.907
where: short stacking energy: -210.588
Base-Backbone interact. energy: -2.285
local terms energy: -306.590306
where:
bonds (distance) C4'-P energy: -77.466
bonds (distance) P-C4' energy: -64.826
flat angles C4'-P-C4' energy: -79.326
flat angles P-C4'-P energy: -45.469
tors. eta vs tors. theta energy: -39.503
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: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -520.999624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.999624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.999624 (E_RNA)
where:
Base-Base interactions energy: -272.704
where: short stacking energy: -147.483
Base-Backbone interact. energy: 0.287
local terms energy: -248.583380
where:
bonds (distance) C4'-P energy: -65.122
bonds (distance) P-C4' energy: -85.994
flat angles C4'-P-C4' energy: -73.105
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1668.667967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.667967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.667967 (E_RNA)
where:
Base-Base interactions energy: -1131.863
where: short stacking energy: -497.343
Base-Backbone interact. energy: -2.928
local terms energy: -533.877332
where:
bonds (distance) C4'-P energy: -103.842
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -113.968
flat angles P-C4'-P energy: -71.202
tors. eta vs tors. theta energy: -146.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1595.839265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.839265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.839265 (E_RNA)
where:
Base-Base interactions energy: -1082.501
where: short stacking energy: -477.496
Base-Backbone interact. energy: -1.466
local terms energy: -511.872209
where:
bonds (distance) C4'-P energy: -102.103
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -107.308
flat angles P-C4'-P energy: -64.507
tors. eta vs tors. theta energy: -131.559
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: 70
Temperature: 1.000000
Total energy: -1446.551463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.551463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.551463 (E_RNA)
where:
Base-Base interactions energy: -978.579
where: short stacking energy: -438.684
Base-Backbone interact. energy: 4.645
local terms energy: -472.618154
where:
bonds (distance) C4'-P energy: -83.540
bonds (distance) P-C4' energy: -97.108
flat angles C4'-P-C4' energy: -106.392
flat angles P-C4'-P energy: -74.170
tors. eta vs tors. theta energy: -111.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1305.374171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.374171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.374171 (E_RNA)
where:
Base-Base interactions energy: -871.417
where: short stacking energy: -373.559
Base-Backbone interact. energy: 0.870
local terms energy: -434.827255
where:
bonds (distance) C4'-P energy: -94.995
bonds (distance) P-C4' energy: -79.884
flat angles C4'-P-C4' energy: -104.138
flat angles P-C4'-P energy: -63.922
tors. eta vs tors. theta energy: -91.889
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: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1289.901472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.901472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.901472 (E_RNA)
where:
Base-Base interactions energy: -852.460
where: short stacking energy: -378.925
Base-Backbone interact. energy: -3.460
local terms energy: -433.981593
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -87.989
flat angles C4'-P-C4' energy: -100.192
flat angles P-C4'-P energy: -69.015
tors. eta vs tors. theta energy: -88.679
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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1118.800667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.800667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.800667 (E_RNA)
where:
Base-Base interactions energy: -721.073
where: short stacking energy: -360.100
Base-Backbone interact. energy: -0.219
local terms energy: -397.508889
where:
bonds (distance) C4'-P energy: -83.089
bonds (distance) P-C4' energy: -96.393
flat angles C4'-P-C4' energy: -98.516
flat angles P-C4'-P energy: -44.388
tors. eta vs tors. theta energy: -75.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1006.214125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.214125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.214125 (E_RNA)
where:
Base-Base interactions energy: -663.918
where: short stacking energy: -314.995
Base-Backbone interact. energy: -1.316
local terms energy: -340.979487
where:
bonds (distance) C4'-P energy: -62.551
bonds (distance) P-C4' energy: -79.012
flat angles C4'-P-C4' energy: -84.920
flat angles P-C4'-P energy: -56.080
tors. eta vs tors. theta energy: -58.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -710.132223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.132223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.132223 (E_RNA)
where:
Base-Base interactions energy: -396.370
where: short stacking energy: -229.478
Base-Backbone interact. energy: -1.350
local terms energy: -312.412598
where:
bonds (distance) C4'-P energy: -85.277
bonds (distance) P-C4' energy: -86.398
flat angles C4'-P-C4' energy: -80.261
flat angles P-C4'-P energy: -45.593
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -651.499224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.499224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.499224 (E_RNA)
where:
Base-Base interactions energy: -388.251
where: short stacking energy: -224.187
Base-Backbone interact. energy: -2.052
local terms energy: -261.196047
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -76.149
flat angles C4'-P-C4' energy: -71.765
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -17.877
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: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -511.568933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.568933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.568933 (E_RNA)
where:
Base-Base interactions energy: -254.106
where: short stacking energy: -137.260
Base-Backbone interact. energy: -2.779
local terms energy: -254.684463
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -76.460
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -54.113
tors. eta vs tors. theta energy: 8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1669.460676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.460676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.460676 (E_RNA)
where:
Base-Base interactions energy: -1142.157
where: short stacking energy: -507.769
Base-Backbone interact. energy: -2.474
local terms energy: -524.829659
where:
bonds (distance) C4'-P energy: -101.442
bonds (distance) P-C4' energy: -105.710
flat angles C4'-P-C4' energy: -101.084
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -146.817
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: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1580.553496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.553496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.553496 (E_RNA)
where:
Base-Base interactions energy: -1072.000
where: short stacking energy: -478.054
Base-Backbone interact. energy: -1.020
local terms energy: -507.533529
where:
bonds (distance) C4'-P energy: -98.010
bonds (distance) P-C4' energy: -97.769
flat angles C4'-P-C4' energy: -108.833
flat angles P-C4'-P energy: -67.030
tors. eta vs tors. theta energy: -135.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1459.608056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.608056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.608056 (E_RNA)
where:
Base-Base interactions energy: -983.508
where: short stacking energy: -428.259
Base-Backbone interact. energy: 0.959
local terms energy: -477.059433
where:
bonds (distance) C4'-P energy: -92.986
bonds (distance) P-C4' energy: -100.732
flat angles C4'-P-C4' energy: -110.913
flat angles P-C4'-P energy: -63.425
tors. eta vs tors. theta energy: -109.003
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1339.360204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.360204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.360204 (E_RNA)
where:
Base-Base interactions energy: -896.934
where: short stacking energy: -392.971
Base-Backbone interact. energy: -1.233
local terms energy: -441.193450
where:
bonds (distance) C4'-P energy: -84.094
bonds (distance) P-C4' energy: -103.497
flat angles C4'-P-C4' energy: -94.776
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -105.760
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: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1230.341358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.341358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.341358 (E_RNA)
where:
Base-Base interactions energy: -833.270
where: short stacking energy: -350.259
Base-Backbone interact. energy: -3.621
local terms energy: -393.450446
where:
bonds (distance) C4'-P energy: -90.291
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -93.054
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -78.913
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1069.444318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.444318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.444318 (E_RNA)
where:
Base-Base interactions energy: -676.725
where: short stacking energy: -318.201
Base-Backbone interact. energy: -0.211
local terms energy: -392.508483
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -97.331
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -65.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -968.957466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.957466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.957466 (E_RNA)
where:
Base-Base interactions energy: -618.872
where: short stacking energy: -282.771
Base-Backbone interact. energy: -0.863
local terms energy: -349.221715
where:
bonds (distance) C4'-P energy: -81.338
bonds (distance) P-C4' energy: -90.492
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -49.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -738.658256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.658256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.658256 (E_RNA)
where:
Base-Base interactions energy: -414.946
where: short stacking energy: -231.014
Base-Backbone interact. energy: -1.623
local terms energy: -322.089417
where:
bonds (distance) C4'-P energy: -87.764
bonds (distance) P-C4' energy: -85.725
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -38.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -607.022329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.022329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.022329 (E_RNA)
where:
Base-Base interactions energy: -309.889
where: short stacking energy: -161.586
Base-Backbone interact. energy: -3.220
local terms energy: -293.913230
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -81.521
flat angles C4'-P-C4' energy: -86.320
flat angles P-C4'-P energy: -50.176
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -479.703794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.703794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.703794 (E_RNA)
where:
Base-Base interactions energy: -224.406
where: short stacking energy: -141.084
Base-Backbone interact. energy: 1.132
local terms energy: -256.429890
where:
bonds (distance) C4'-P energy: -76.617
bonds (distance) P-C4' energy: -92.196
flat angles C4'-P-C4' energy: -66.365
flat angles P-C4'-P energy: -33.162
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: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1650.633382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.633382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.633382 (E_RNA)
where:
Base-Base interactions energy: -1127.092
where: short stacking energy: -495.150
Base-Backbone interact. energy: -1.380
local terms energy: -522.161436
where:
bonds (distance) C4'-P energy: -87.070
bonds (distance) P-C4' energy: -109.867
flat angles C4'-P-C4' energy: -103.435
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -140.803
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: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1597.731936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.731936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.731936 (E_RNA)
where:
Base-Base interactions energy: -1097.981
where: short stacking energy: -491.938
Base-Backbone interact. energy: -0.152
local terms energy: -499.599256
where:
bonds (distance) C4'-P energy: -94.610
bonds (distance) P-C4' energy: -89.449
flat angles C4'-P-C4' energy: -100.671
flat angles P-C4'-P energy: -73.127
tors. eta vs tors. theta energy: -141.742
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: 72
Temperature: 1.000000
Total energy: -1477.516718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.516718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.516718 (E_RNA)
where:
Base-Base interactions energy: -988.273
where: short stacking energy: -437.384
Base-Backbone interact. energy: -1.449
local terms energy: -487.795401
where:
bonds (distance) C4'-P energy: -98.710
bonds (distance) P-C4' energy: -95.543
flat angles C4'-P-C4' energy: -105.355
flat angles P-C4'-P energy: -58.500
tors. eta vs tors. theta energy: -129.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1321.413755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.413755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.413755 (E_RNA)
where:
Base-Base interactions energy: -863.829
where: short stacking energy: -378.852
Base-Backbone interact. energy: -0.421
local terms energy: -457.163536
where:
bonds (distance) C4'-P energy: -97.909
bonds (distance) P-C4' energy: -95.197
flat angles C4'-P-C4' energy: -93.521
flat angles P-C4'-P energy: -57.358
tors. eta vs tors. theta energy: -113.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1238.276637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.276637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.276637 (E_RNA)
where:
Base-Base interactions energy: -819.610
where: short stacking energy: -352.347
Base-Backbone interact. energy: -0.758
local terms energy: -417.909335
where:
bonds (distance) C4'-P energy: -88.738
bonds (distance) P-C4' energy: -91.652
flat angles C4'-P-C4' energy: -102.675
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -80.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1038.760783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.760783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.760783 (E_RNA)
where:
Base-Base interactions energy: -647.489
where: short stacking energy: -306.231
Base-Backbone interact. energy: 0.166
local terms energy: -391.437775
where:
bonds (distance) C4'-P energy: -73.862
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -99.023
flat angles P-C4'-P energy: -62.825
tors. eta vs tors. theta energy: -67.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -981.917301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.917301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.917301 (E_RNA)
where:
Base-Base interactions energy: -615.466
where: short stacking energy: -297.162
Base-Backbone interact. energy: -0.558
local terms energy: -365.893169
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -95.971
flat angles C4'-P-C4' energy: -94.864
flat angles P-C4'-P energy: -49.968
tors. eta vs tors. theta energy: -62.996
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: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -740.473335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.473335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.473335 (E_RNA)
where:
Base-Base interactions energy: -413.882
where: short stacking energy: -195.764
Base-Backbone interact. energy: 3.970
local terms energy: -330.562231
where:
bonds (distance) C4'-P energy: -83.352
bonds (distance) P-C4' energy: -92.715
flat angles C4'-P-C4' energy: -74.781
flat angles P-C4'-P energy: -57.131
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -617.947510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.947510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.947510 (E_RNA)
where:
Base-Base interactions energy: -333.659
where: short stacking energy: -181.037
Base-Backbone interact. energy: 1.850
local terms energy: -286.139217
where:
bonds (distance) C4'-P energy: -88.518
bonds (distance) P-C4' energy: -83.688
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -43.563
tors. eta vs tors. theta energy: -2.736
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: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -528.298974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.298974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.298974 (E_RNA)
where:
Base-Base interactions energy: -267.503
where: short stacking energy: -159.615
Base-Backbone interact. energy: 8.603
local terms energy: -269.398874
where:
bonds (distance) C4'-P energy: -86.085
bonds (distance) P-C4' energy: -92.373
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -27.340
tors. eta vs tors. theta energy: -3.128
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: 73
Temperature: 0.900000
Total energy: -1648.474458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.474458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.474458 (E_RNA)
where:
Base-Base interactions energy: -1133.861
where: short stacking energy: -498.402
Base-Backbone interact. energy: -1.672
local terms energy: -512.941529
where:
bonds (distance) C4'-P energy: -91.135
bonds (distance) P-C4' energy: -107.890
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -68.462
tors. eta vs tors. theta energy: -134.304
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: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1595.915268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.915268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.915268 (E_RNA)
where:
Base-Base interactions energy: -1097.370
where: short stacking energy: -491.848
Base-Backbone interact. energy: -1.863
local terms energy: -496.681987
where:
bonds (distance) C4'-P energy: -87.324
bonds (distance) P-C4' energy: -83.013
flat angles C4'-P-C4' energy: -113.608
flat angles P-C4'-P energy: -72.808
tors. eta vs tors. theta energy: -139.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1473.466494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.466494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.466494 (E_RNA)
where:
Base-Base interactions energy: -989.403
where: short stacking energy: -463.629
Base-Backbone interact. energy: -1.853
local terms energy: -482.210991
where:
bonds (distance) C4'-P energy: -87.813
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -99.978
flat angles P-C4'-P energy: -60.934
tors. eta vs tors. theta energy: -132.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1280.944008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.944008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.944008 (E_RNA)
where:
Base-Base interactions energy: -874.138
where: short stacking energy: -370.938
Base-Backbone interact. energy: -2.815
local terms energy: -403.990298
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -85.911
flat angles C4'-P-C4' energy: -86.143
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -77.697
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1343.763193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.763193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.763193 (E_RNA)
where:
Base-Base interactions energy: -886.747
where: short stacking energy: -389.384
Base-Backbone interact. energy: 0.628
local terms energy: -457.644001
where:
bonds (distance) C4'-P energy: -94.715
bonds (distance) P-C4' energy: -93.179
flat angles C4'-P-C4' energy: -88.379
flat angles P-C4'-P energy: -69.184
tors. eta vs tors. theta energy: -112.187
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: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1025.478243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.478243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.478243 (E_RNA)
where:
Base-Base interactions energy: -649.617
where: short stacking energy: -292.714
Base-Backbone interact. energy: 0.138
local terms energy: -375.999409
where:
bonds (distance) C4'-P energy: -75.949
bonds (distance) P-C4' energy: -93.037
flat angles C4'-P-C4' energy: -88.920
flat angles P-C4'-P energy: -60.323
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -975.180658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.180658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.180658 (E_RNA)
where:
Base-Base interactions energy: -630.314
where: short stacking energy: -298.969
Base-Backbone interact. energy: -2.486
local terms energy: -342.380519
where:
bonds (distance) C4'-P energy: -84.410
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -84.088
flat angles P-C4'-P energy: -43.461
tors. eta vs tors. theta energy: -54.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -738.127183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.127183 (E_RNA)
where:
Base-Base interactions energy: -417.317
where: short stacking energy: -221.260
Base-Backbone interact. energy: -0.843
local terms energy: -319.967153
where:
bonds (distance) C4'-P energy: -91.543
bonds (distance) P-C4' energy: -75.406
flat angles C4'-P-C4' energy: -73.583
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -28.745
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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -672.466388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.466388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.466388 (E_RNA)
where:
Base-Base interactions energy: -381.933
where: short stacking energy: -191.884
Base-Backbone interact. energy: -1.031
local terms energy: -289.502911
where:
bonds (distance) C4'-P energy: -76.137
bonds (distance) P-C4' energy: -79.249
flat angles C4'-P-C4' energy: -74.437
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -506.950381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.950381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.950381 (E_RNA)
where:
Base-Base interactions energy: -234.838
where: short stacking energy: -126.365
Base-Backbone interact. energy: -2.257
local terms energy: -269.855358
where:
bonds (distance) C4'-P energy: -78.954
bonds (distance) P-C4' energy: -86.531
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -52.120
tors. eta vs tors. theta energy: 11.906
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: 74
Temperature: 0.900000
Total energy: -1672.511343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.511343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.511343 (E_RNA)
where:
Base-Base interactions energy: -1159.761
where: short stacking energy: -493.828
Base-Backbone interact. energy: -3.008
local terms energy: -509.741524
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -96.419
flat angles C4'-P-C4' energy: -113.256
flat angles P-C4'-P energy: -74.007
tors. eta vs tors. theta energy: -133.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1584.277230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.277230 (E_RNA)
where:
Base-Base interactions energy: -1079.894
where: short stacking energy: -466.804
Base-Backbone interact. energy: -3.411
local terms energy: -500.972683
where:
bonds (distance) C4'-P energy: -95.483
bonds (distance) P-C4' energy: -99.794
flat angles C4'-P-C4' energy: -101.216
flat angles P-C4'-P energy: -73.507
tors. eta vs tors. theta energy: -130.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1477.389861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.389861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.389861 (E_RNA)
where:
Base-Base interactions energy: -989.602
where: short stacking energy: -432.233
Base-Backbone interact. energy: -1.814
local terms energy: -485.973682
where:
bonds (distance) C4'-P energy: -98.515
bonds (distance) P-C4' energy: -99.616
flat angles C4'-P-C4' energy: -108.276
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -105.121
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1325.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.709972 (E_RNA)
where:
Base-Base interactions energy: -901.359
where: short stacking energy: -360.258
Base-Backbone interact. energy: -2.525
local terms energy: -421.826515
where:
bonds (distance) C4'-P energy: -80.134
bonds (distance) P-C4' energy: -89.932
flat angles C4'-P-C4' energy: -108.346
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -85.558
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1317.808877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.808877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.808877 (E_RNA)
where:
Base-Base interactions energy: -863.368
where: short stacking energy: -384.702
Base-Backbone interact. energy: -0.211
local terms energy: -454.229684
where:
bonds (distance) C4'-P energy: -89.399
bonds (distance) P-C4' energy: -87.877
flat angles C4'-P-C4' energy: -105.446
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -115.856
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: 74
Temperature: 1.150000
Total energy: -1028.114233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.114233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.114233 (E_RNA)
where:
Base-Base interactions energy: -642.005
where: short stacking energy: -298.596
Base-Backbone interact. energy: -0.096
local terms energy: -386.013336
where:
bonds (distance) C4'-P energy: -95.298
bonds (distance) P-C4' energy: -88.644
flat angles C4'-P-C4' energy: -85.473
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -60.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -948.951889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.951889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.951889 (E_RNA)
where:
Base-Base interactions energy: -573.281
where: short stacking energy: -270.059
Base-Backbone interact. energy: -3.369
local terms energy: -372.301190
where:
bonds (distance) C4'-P energy: -70.054
bonds (distance) P-C4' energy: -93.971
flat angles C4'-P-C4' energy: -95.030
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -66.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -750.669622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.669622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.669622 (E_RNA)
where:
Base-Base interactions energy: -428.140
where: short stacking energy: -228.281
Base-Backbone interact. energy: 1.006
local terms energy: -323.536083
where:
bonds (distance) C4'-P energy: -77.289
bonds (distance) P-C4' energy: -97.700
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -33.645
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -643.441350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.441350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.441350 (E_RNA)
where:
Base-Base interactions energy: -347.628
where: short stacking energy: -165.451
Base-Backbone interact. energy: 0.984
local terms energy: -296.797584
where:
bonds (distance) C4'-P energy: -78.287
bonds (distance) P-C4' energy: -85.992
flat angles C4'-P-C4' energy: -75.910
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -469.242551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.242551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.242551 (E_RNA)
where:
Base-Base interactions energy: -225.618
where: short stacking energy: -161.946
Base-Backbone interact. energy: 1.015
local terms energy: -244.638955
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -82.537
flat angles C4'-P-C4' energy: -54.740
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1639.219059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.219059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.219059 (E_RNA)
where:
Base-Base interactions energy: -1144.250
where: short stacking energy: -512.395
Base-Backbone interact. energy: -3.137
local terms energy: -491.832527
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -90.811
flat angles C4'-P-C4' energy: -110.316
flat angles P-C4'-P energy: -64.151
tors. eta vs tors. theta energy: -134.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1558.771530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.771530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.771530 (E_RNA)
where:
Base-Base interactions energy: -1072.580
where: short stacking energy: -456.200
Base-Backbone interact. energy: -5.047
local terms energy: -481.144303
where:
bonds (distance) C4'-P energy: -91.182
bonds (distance) P-C4' energy: -96.330
flat angles C4'-P-C4' energy: -106.841
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -129.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1427.272568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.272568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.272568 (E_RNA)
where:
Base-Base interactions energy: -993.623
where: short stacking energy: -428.226
Base-Backbone interact. energy: -1.357
local terms energy: -432.292971
where:
bonds (distance) C4'-P energy: -85.063
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -105.972
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -109.768
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1378.632208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.632208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.632208 (E_RNA)
where:
Base-Base interactions energy: -938.457
where: short stacking energy: -413.403
Base-Backbone interact. energy: 0.637
local terms energy: -440.811863
where:
bonds (distance) C4'-P energy: -73.613
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -104.696
flat angles P-C4'-P energy: -59.457
tors. eta vs tors. theta energy: -114.472
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: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1276.296554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.296554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.296554 (E_RNA)
where:
Base-Base interactions energy: -855.245
where: short stacking energy: -384.383
Base-Backbone interact. energy: 5.797
local terms energy: -426.848656
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -95.548
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -98.812
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: 75
Temperature: 1.150000
Total energy: -1043.122207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.122207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.122207 (E_RNA)
where:
Base-Base interactions energy: -663.734
where: short stacking energy: -334.138
Base-Backbone interact. energy: -0.193
local terms energy: -379.194849
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -95.301
flat angles P-C4'-P energy: -56.333
tors. eta vs tors. theta energy: -70.253
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: 75
Temperature: 1.200000
Total energy: -935.814899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.814899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.814899 (E_RNA)
where:
Base-Base interactions energy: -584.837
where: short stacking energy: -295.308
Base-Backbone interact. energy: -2.408
local terms energy: -348.569984
where:
bonds (distance) C4'-P energy: -64.907
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -103.390
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -59.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -767.769930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.769930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.769930 (E_RNA)
where:
Base-Base interactions energy: -459.215
where: short stacking energy: -237.702
Base-Backbone interact. energy: 1.684
local terms energy: -310.238849
where:
bonds (distance) C4'-P energy: -66.755
bonds (distance) P-C4' energy: -79.631
flat angles C4'-P-C4' energy: -84.726
flat angles P-C4'-P energy: -52.281
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -692.651006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.651006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.651006 (E_RNA)
where:
Base-Base interactions energy: -390.350
where: short stacking energy: -195.492
Base-Backbone interact. energy: 0.595
local terms energy: -302.896178
where:
bonds (distance) C4'-P energy: -86.348
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -86.485
flat angles P-C4'-P energy: -44.558
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: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -468.247586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.247586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.247586 (E_RNA)
where:
Base-Base interactions energy: -193.215
where: short stacking energy: -150.905
Base-Backbone interact. energy: 5.186
local terms energy: -280.218564
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -83.050
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1626.456132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.456132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.456132 (E_RNA)
where:
Base-Base interactions energy: -1121.783
where: short stacking energy: -503.834
Base-Backbone interact. energy: -0.152
local terms energy: -504.521916
where:
bonds (distance) C4'-P energy: -86.668
bonds (distance) P-C4' energy: -103.555
flat angles C4'-P-C4' energy: -110.500
flat angles P-C4'-P energy: -62.897
tors. eta vs tors. theta energy: -140.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1548.346812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.346812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.346812 (E_RNA)
where:
Base-Base interactions energy: -1040.072
where: short stacking energy: -434.152
Base-Backbone interact. energy: -2.579
local terms energy: -505.696046
where:
bonds (distance) C4'-P energy: -101.944
bonds (distance) P-C4' energy: -100.417
flat angles C4'-P-C4' energy: -106.430
flat angles P-C4'-P energy: -76.465
tors. eta vs tors. theta energy: -120.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1415.891945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.891945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.891945 (E_RNA)
where:
Base-Base interactions energy: -921.713
where: short stacking energy: -416.748
Base-Backbone interact. energy: -2.737
local terms energy: -491.441635
where:
bonds (distance) C4'-P energy: -95.531
bonds (distance) P-C4' energy: -98.820
flat angles C4'-P-C4' energy: -110.839
flat angles P-C4'-P energy: -68.429
tors. eta vs tors. theta energy: -117.822
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: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1396.972254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.972254 (E_RNA)
where:
Base-Base interactions energy: -947.685
where: short stacking energy: -410.385
Base-Backbone interact. energy: -1.154
local terms energy: -448.133464
where:
bonds (distance) C4'-P energy: -95.720
bonds (distance) P-C4' energy: -76.575
flat angles C4'-P-C4' energy: -103.680
flat angles P-C4'-P energy: -68.172
tors. eta vs tors. theta energy: -103.987
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: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1308.910650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.910650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.910650 (E_RNA)
where:
Base-Base interactions energy: -878.665
where: short stacking energy: -393.383
Base-Backbone interact. energy: -1.892
local terms energy: -428.353634
where:
bonds (distance) C4'-P energy: -102.516
bonds (distance) P-C4' energy: -83.743
flat angles C4'-P-C4' energy: -89.880
flat angles P-C4'-P energy: -53.681
tors. eta vs tors. theta energy: -98.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1032.681652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.681652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.681652 (E_RNA)
where:
Base-Base interactions energy: -639.321
where: short stacking energy: -299.309
Base-Backbone interact. energy: -1.761
local terms energy: -391.600120
where:
bonds (distance) C4'-P energy: -85.824
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -81.367
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -63.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -953.828000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.828000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.828000 (E_RNA)
where:
Base-Base interactions energy: -584.647
where: short stacking energy: -284.834
Base-Backbone interact. energy: 2.128
local terms energy: -371.308011
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -90.323
flat angles C4'-P-C4' energy: -82.687
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -56.471
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: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -703.083702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.083702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.083702 (E_RNA)
where:
Base-Base interactions energy: -403.974
where: short stacking energy: -220.912
Base-Backbone interact. energy: 3.200
local terms energy: -302.309944
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -71.531
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -694.934805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.934805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.934805 (E_RNA)
where:
Base-Base interactions energy: -397.419
where: short stacking energy: -197.835
Base-Backbone interact. energy: -2.315
local terms energy: -295.200130
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -81.033
flat angles C4'-P-C4' energy: -82.205
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -5.661
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: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -513.596733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.596733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.596733 (E_RNA)
where:
Base-Base interactions energy: -219.586
where: short stacking energy: -165.502
Base-Backbone interact. energy: -1.355
local terms energy: -292.655969
where:
bonds (distance) C4'-P energy: -81.544
bonds (distance) P-C4' energy: -76.175
flat angles C4'-P-C4' energy: -69.094
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -17.525
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: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1656.118819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.118819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.118819 (E_RNA)
where:
Base-Base interactions energy: -1147.410
where: short stacking energy: -512.656
Base-Backbone interact. energy: -1.690
local terms energy: -507.018802
where:
bonds (distance) C4'-P energy: -86.409
bonds (distance) P-C4' energy: -97.071
flat angles C4'-P-C4' energy: -118.005
flat angles P-C4'-P energy: -68.731
tors. eta vs tors. theta energy: -136.802
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: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1521.722006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.722006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.722006 (E_RNA)
where:
Base-Base interactions energy: -1018.172
where: short stacking energy: -452.597
Base-Backbone interact. energy: -0.595
local terms energy: -502.955649
where:
bonds (distance) C4'-P energy: -99.339
bonds (distance) P-C4' energy: -91.196
flat angles C4'-P-C4' energy: -109.111
flat angles P-C4'-P energy: -69.692
tors. eta vs tors. theta energy: -133.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1465.168350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.168350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.168350 (E_RNA)
where:
Base-Base interactions energy: -983.324
where: short stacking energy: -461.282
Base-Backbone interact. energy: 0.921
local terms energy: -482.765139
where:
bonds (distance) C4'-P energy: -85.631
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -108.701
flat angles P-C4'-P energy: -70.552
tors. eta vs tors. theta energy: -129.319
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: 77
Temperature: 1.050000
Total energy: -1390.502800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.502800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.502800 (E_RNA)
where:
Base-Base interactions energy: -923.352
where: short stacking energy: -412.623
Base-Backbone interact. energy: 0.817
local terms energy: -467.967884
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -92.181
flat angles C4'-P-C4' energy: -102.533
flat angles P-C4'-P energy: -65.784
tors. eta vs tors. theta energy: -104.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1316.207713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.207713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.207713 (E_RNA)
where:
Base-Base interactions energy: -879.927
where: short stacking energy: -364.664
Base-Backbone interact. energy: -1.775
local terms energy: -434.505832
where:
bonds (distance) C4'-P energy: -93.900
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -99.066
flat angles P-C4'-P energy: -65.327
tors. eta vs tors. theta energy: -78.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1058.757594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.757594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.757594 (E_RNA)
where:
Base-Base interactions energy: -671.937
where: short stacking energy: -311.637
Base-Backbone interact. energy: -1.831
local terms energy: -384.989498
where:
bonds (distance) C4'-P energy: -71.987
bonds (distance) P-C4' energy: -84.472
flat angles C4'-P-C4' energy: -93.496
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -75.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -965.989733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.989733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.989733 (E_RNA)
where:
Base-Base interactions energy: -598.673
where: short stacking energy: -293.502
Base-Backbone interact. energy: -1.006
local terms energy: -366.310528
where:
bonds (distance) C4'-P energy: -85.335
bonds (distance) P-C4' energy: -72.768
flat angles C4'-P-C4' energy: -90.540
flat angles P-C4'-P energy: -54.407
tors. eta vs tors. theta energy: -63.260
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: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -712.937925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.937925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.937925 (E_RNA)
where:
Base-Base interactions energy: -402.625
where: short stacking energy: -213.160
Base-Backbone interact. energy: 0.602
local terms energy: -310.915091
where:
bonds (distance) C4'-P energy: -73.686
bonds (distance) P-C4' energy: -90.283
flat angles C4'-P-C4' energy: -78.319
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -694.262807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.262807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.262807 (E_RNA)
where:
Base-Base interactions energy: -377.532
where: short stacking energy: -199.437
Base-Backbone interact. energy: -0.004
local terms energy: -316.726238
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -78.625
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -15.237
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: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -481.482233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.482233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.482233 (E_RNA)
where:
Base-Base interactions energy: -224.199
where: short stacking energy: -139.893
Base-Backbone interact. energy: -0.093
local terms energy: -257.190872
where:
bonds (distance) C4'-P energy: -79.568
bonds (distance) P-C4' energy: -64.388
flat angles C4'-P-C4' energy: -69.489
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1680.102350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.102350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.102350 (E_RNA)
where:
Base-Base interactions energy: -1159.343
where: short stacking energy: -491.186
Base-Backbone interact. energy: -0.913
local terms energy: -519.846276
where:
bonds (distance) C4'-P energy: -96.958
bonds (distance) P-C4' energy: -102.793
flat angles C4'-P-C4' energy: -109.903
flat angles P-C4'-P energy: -70.107
tors. eta vs tors. theta energy: -140.085
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: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1565.922191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.922191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.922191 (E_RNA)
where:
Base-Base interactions energy: -1032.083
where: short stacking energy: -472.649
Base-Backbone interact. energy: -3.760
local terms energy: -530.079045
where:
bonds (distance) C4'-P energy: -96.839
bonds (distance) P-C4' energy: -113.390
flat angles C4'-P-C4' energy: -111.176
flat angles P-C4'-P energy: -68.345
tors. eta vs tors. theta energy: -140.328
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: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1456.947988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.947988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.947988 (E_RNA)
where:
Base-Base interactions energy: -985.467
where: short stacking energy: -442.695
Base-Backbone interact. energy: -1.257
local terms energy: -470.224055
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -91.107
flat angles C4'-P-C4' energy: -104.184
flat angles P-C4'-P energy: -61.320
tors. eta vs tors. theta energy: -124.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1377.476699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.476699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.476699 (E_RNA)
where:
Base-Base interactions energy: -923.120
where: short stacking energy: -399.247
Base-Backbone interact. energy: 0.519
local terms energy: -454.875936
where:
bonds (distance) C4'-P energy: -81.756
bonds (distance) P-C4' energy: -98.487
flat angles C4'-P-C4' energy: -99.103
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -115.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1318.746803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.746803 (E_RNA)
where:
Base-Base interactions energy: -893.456
where: short stacking energy: -373.215
Base-Backbone interact. energy: -1.465
local terms energy: -423.826434
where:
bonds (distance) C4'-P energy: -77.756
bonds (distance) P-C4' energy: -85.371
flat angles C4'-P-C4' energy: -91.714
flat angles P-C4'-P energy: -68.161
tors. eta vs tors. theta energy: -100.825
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: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1075.222975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.222975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.222975 (E_RNA)
where:
Base-Base interactions energy: -680.722
where: short stacking energy: -318.666
Base-Backbone interact. energy: 1.276
local terms energy: -395.776839
where:
bonds (distance) C4'-P energy: -91.840
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -87.602
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -71.897
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -998.166052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.166052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.166052 (E_RNA)
where:
Base-Base interactions energy: -611.607
where: short stacking energy: -277.657
Base-Backbone interact. energy: -1.325
local terms energy: -385.233935
where:
bonds (distance) C4'-P energy: -88.369
bonds (distance) P-C4' energy: -77.061
flat angles C4'-P-C4' energy: -94.759
flat angles P-C4'-P energy: -60.646
tors. eta vs tors. theta energy: -64.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -829.442801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.442801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.442801 (E_RNA)
where:
Base-Base interactions energy: -475.156
where: short stacking energy: -229.322
Base-Backbone interact. energy: -0.757
local terms energy: -353.529370
where:
bonds (distance) C4'-P energy: -77.785
bonds (distance) P-C4' energy: -95.774
flat angles C4'-P-C4' energy: -79.645
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -51.953
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: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -695.668704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.668704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.668704 (E_RNA)
where:
Base-Base interactions energy: -398.819
where: short stacking energy: -217.093
Base-Backbone interact. energy: -0.216
local terms energy: -296.633511
where:
bonds (distance) C4'-P energy: -83.496
bonds (distance) P-C4' energy: -81.480
flat angles C4'-P-C4' energy: -77.743
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -17.140
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: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -519.951155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.951155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.951155 (E_RNA)
where:
Base-Base interactions energy: -256.545
where: short stacking energy: -142.859
Base-Backbone interact. energy: 0.506
local terms energy: -263.912256
where:
bonds (distance) C4'-P energy: -79.238
bonds (distance) P-C4' energy: -80.165
flat angles C4'-P-C4' energy: -57.062
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1662.746497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.746497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.746497 (E_RNA)
where:
Base-Base interactions energy: -1140.868
where: short stacking energy: -496.577
Base-Backbone interact. energy: -1.254
local terms energy: -520.624050
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -114.411
flat angles P-C4'-P energy: -69.759
tors. eta vs tors. theta energy: -141.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1582.619949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.619949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.619949 (E_RNA)
where:
Base-Base interactions energy: -1080.212
where: short stacking energy: -480.772
Base-Backbone interact. energy: -3.806
local terms energy: -498.601234
where:
bonds (distance) C4'-P energy: -89.519
bonds (distance) P-C4' energy: -94.387
flat angles C4'-P-C4' energy: -105.801
flat angles P-C4'-P energy: -68.748
tors. eta vs tors. theta energy: -140.145
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1472.163928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.163928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.163928 (E_RNA)
where:
Base-Base interactions energy: -988.096
where: short stacking energy: -451.705
Base-Backbone interact. energy: 2.946
local terms energy: -487.014310
where:
bonds (distance) C4'-P energy: -80.593
bonds (distance) P-C4' energy: -98.214
flat angles C4'-P-C4' energy: -109.217
flat angles P-C4'-P energy: -63.846
tors. eta vs tors. theta energy: -135.144
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1400.418513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.418513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.418513 (E_RNA)
where:
Base-Base interactions energy: -937.617
where: short stacking energy: -415.031
Base-Backbone interact. energy: -1.677
local terms energy: -461.124322
where:
bonds (distance) C4'-P energy: -87.821
bonds (distance) P-C4' energy: -102.657
flat angles C4'-P-C4' energy: -101.223
flat angles P-C4'-P energy: -50.657
tors. eta vs tors. theta energy: -118.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1345.301142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.301142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.301142 (E_RNA)
where:
Base-Base interactions energy: -929.227
where: short stacking energy: -385.058
Base-Backbone interact. energy: 0.712
local terms energy: -416.785905
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -81.475
flat angles C4'-P-C4' energy: -90.570
flat angles P-C4'-P energy: -57.159
tors. eta vs tors. theta energy: -98.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1087.503538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.503538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.503538 (E_RNA)
where:
Base-Base interactions energy: -703.010
where: short stacking energy: -319.902
Base-Backbone interact. energy: -3.515
local terms energy: -380.978242
where:
bonds (distance) C4'-P energy: -76.411
bonds (distance) P-C4' energy: -87.389
flat angles C4'-P-C4' energy: -86.340
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -79.731
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: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -887.949544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.949544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.949544 (E_RNA)
where:
Base-Base interactions energy: -541.842
where: short stacking energy: -266.318
Base-Backbone interact. energy: -0.717
local terms energy: -345.391058
where:
bonds (distance) C4'-P energy: -75.054
bonds (distance) P-C4' energy: -84.942
flat angles C4'-P-C4' energy: -93.508
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -758.263757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.263757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.263757 (E_RNA)
where:
Base-Base interactions energy: -428.787
where: short stacking energy: -199.599
Base-Backbone interact. energy: -0.791
local terms energy: -328.685565
where:
bonds (distance) C4'-P energy: -99.123
bonds (distance) P-C4' energy: -83.141
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -49.820
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -726.409204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.409204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.409204 (E_RNA)
where:
Base-Base interactions energy: -405.098
where: short stacking energy: -224.107
Base-Backbone interact. energy: -0.149
local terms energy: -321.161749
where:
bonds (distance) C4'-P energy: -78.298
bonds (distance) P-C4' energy: -78.838
flat angles C4'-P-C4' energy: -91.394
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -22.913
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: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -477.869354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.869354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.869354 (E_RNA)
where:
Base-Base interactions energy: -229.213
where: short stacking energy: -141.017
Base-Backbone interact. energy: -2.842
local terms energy: -245.814220
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -68.438
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: 0.650
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: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1679.959337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.959337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.959337 (E_RNA)
where:
Base-Base interactions energy: -1185.763
where: short stacking energy: -509.881
Base-Backbone interact. energy: -0.274
local terms energy: -493.922147
where:
bonds (distance) C4'-P energy: -90.233
bonds (distance) P-C4' energy: -92.869
flat angles C4'-P-C4' energy: -107.942
flat angles P-C4'-P energy: -65.165
tors. eta vs tors. theta energy: -137.713
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1567.961834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.961834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.961834 (E_RNA)
where:
Base-Base interactions energy: -1064.704
where: short stacking energy: -462.322
Base-Backbone interact. energy: -2.889
local terms energy: -500.368496
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -106.714
flat angles C4'-P-C4' energy: -102.302
flat angles P-C4'-P energy: -72.271
tors. eta vs tors. theta energy: -125.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1441.692741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.692741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.692741 (E_RNA)
where:
Base-Base interactions energy: -978.156
where: short stacking energy: -440.125
Base-Backbone interact. energy: 5.885
local terms energy: -469.421272
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -90.883
flat angles C4'-P-C4' energy: -102.101
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -118.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1435.644255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.644255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.644255 (E_RNA)
where:
Base-Base interactions energy: -967.951
where: short stacking energy: -442.755
Base-Backbone interact. energy: -2.215
local terms energy: -465.478671
where:
bonds (distance) C4'-P energy: -90.579
bonds (distance) P-C4' energy: -85.884
flat angles C4'-P-C4' energy: -104.797
flat angles P-C4'-P energy: -61.246
tors. eta vs tors. theta energy: -122.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1328.033884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.033884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.033884 (E_RNA)
where:
Base-Base interactions energy: -884.308
where: short stacking energy: -378.631
Base-Backbone interact. energy: -0.968
local terms energy: -442.757855
where:
bonds (distance) C4'-P energy: -76.663
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -93.422
flat angles P-C4'-P energy: -65.869
tors. eta vs tors. theta energy: -105.803
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: 80
Temperature: 1.150000
Total energy: -1083.460583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.460583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.460583 (E_RNA)
where:
Base-Base interactions energy: -687.664
where: short stacking energy: -311.183
Base-Backbone interact. energy: -0.581
local terms energy: -395.214839
where:
bonds (distance) C4'-P energy: -78.506
bonds (distance) P-C4' energy: -94.645
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -53.154
tors. eta vs tors. theta energy: -72.453
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: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -983.620546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.620546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.620546 (E_RNA)
where:
Base-Base interactions energy: -629.649
where: short stacking energy: -296.376
Base-Backbone interact. energy: 0.811
local terms energy: -354.783005
where:
bonds (distance) C4'-P energy: -72.701
bonds (distance) P-C4' energy: -91.279
flat angles C4'-P-C4' energy: -83.107
flat angles P-C4'-P energy: -54.988
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: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -779.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.063468 (E_RNA)
where:
Base-Base interactions energy: -446.197
where: short stacking energy: -219.448
Base-Backbone interact. energy: 2.338
local terms energy: -335.203647
where:
bonds (distance) C4'-P energy: -93.197
bonds (distance) P-C4' energy: -92.109
flat angles C4'-P-C4' energy: -73.444
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -614.348303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.348303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.348303 (E_RNA)
where:
Base-Base interactions energy: -330.760
where: short stacking energy: -210.747
Base-Backbone interact. energy: 4.133
local terms energy: -287.721355
where:
bonds (distance) C4'-P energy: -60.869
bonds (distance) P-C4' energy: -84.258
flat angles C4'-P-C4' energy: -80.312
flat angles P-C4'-P energy: -38.612
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -511.576497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.576497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.576497 (E_RNA)
where:
Base-Base interactions energy: -259.935
where: short stacking energy: -148.199
Base-Backbone interact. energy: -1.196
local terms energy: -250.445617
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -73.587
flat angles C4'-P-C4' energy: -77.254
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: 10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1661.640144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.640144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.640144 (E_RNA)
where:
Base-Base interactions energy: -1130.511
where: short stacking energy: -487.768
Base-Backbone interact. energy: -0.428
local terms energy: -530.701565
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -108.042
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -139.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1577.979689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.979689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.979689 (E_RNA)
where:
Base-Base interactions energy: -1081.878
where: short stacking energy: -468.761
Base-Backbone interact. energy: -2.853
local terms energy: -493.249533
where:
bonds (distance) C4'-P energy: -79.312
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -96.470
flat angles P-C4'-P energy: -72.932
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: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1416.377552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.377552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.377552 (E_RNA)
where:
Base-Base interactions energy: -961.080
where: short stacking energy: -423.179
Base-Backbone interact. energy: -2.571
local terms energy: -452.727076
where:
bonds (distance) C4'-P energy: -86.082
bonds (distance) P-C4' energy: -91.958
flat angles C4'-P-C4' energy: -98.166
flat angles P-C4'-P energy: -65.946
tors. eta vs tors. theta energy: -110.574
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: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1431.563057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.563057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.563057 (E_RNA)
where:
Base-Base interactions energy: -981.906
where: short stacking energy: -417.170
Base-Backbone interact. energy: 0.070
local terms energy: -449.726882
where:
bonds (distance) C4'-P energy: -85.370
bonds (distance) P-C4' energy: -95.251
flat angles C4'-P-C4' energy: -101.417
flat angles P-C4'-P energy: -57.405
tors. eta vs tors. theta energy: -110.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1403.043803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.043803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.043803 (E_RNA)
where:
Base-Base interactions energy: -943.989
where: short stacking energy: -401.161
Base-Backbone interact. energy: -5.551
local terms energy: -453.503184
where:
bonds (distance) C4'-P energy: -91.490
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -99.276
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -109.521
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: 81
Temperature: 1.150000
Total energy: -1118.339429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.339429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.339429 (E_RNA)
where:
Base-Base interactions energy: -711.495
where: short stacking energy: -307.769
Base-Backbone interact. energy: 0.518
local terms energy: -407.362293
where:
bonds (distance) C4'-P energy: -98.377
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -86.178
flat angles P-C4'-P energy: -57.216
tors. eta vs tors. theta energy: -73.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -903.235601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.235601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.235601 (E_RNA)
where:
Base-Base interactions energy: -551.365
where: short stacking energy: -290.233
Base-Backbone interact. energy: -2.122
local terms energy: -349.748643
where:
bonds (distance) C4'-P energy: -73.043
bonds (distance) P-C4' energy: -82.892
flat angles C4'-P-C4' energy: -79.382
flat angles P-C4'-P energy: -53.475
tors. eta vs tors. theta energy: -60.957
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: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -827.945300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.945300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.945300 (E_RNA)
where:
Base-Base interactions energy: -467.064
where: short stacking energy: -232.421
Base-Backbone interact. energy: -0.550
local terms energy: -360.330927
where:
bonds (distance) C4'-P energy: -84.398
bonds (distance) P-C4' energy: -92.737
flat angles C4'-P-C4' energy: -89.644
flat angles P-C4'-P energy: -53.278
tors. eta vs tors. theta energy: -40.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -621.902014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.902014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.902014 (E_RNA)
where:
Base-Base interactions energy: -337.563
where: short stacking energy: -193.638
Base-Backbone interact. energy: 1.002
local terms energy: -285.340844
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -77.782
flat angles C4'-P-C4' energy: -74.749
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -523.404567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.404567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.404567 (E_RNA)
where:
Base-Base interactions energy: -269.940
where: short stacking energy: -148.731
Base-Backbone interact. energy: 2.202
local terms energy: -255.666251
where:
bonds (distance) C4'-P energy: -74.124
bonds (distance) P-C4' energy: -77.362
flat angles C4'-P-C4' energy: -71.970
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: 6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1661.687575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.687575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.687575 (E_RNA)
where:
Base-Base interactions energy: -1137.693
where: short stacking energy: -496.421
Base-Backbone interact. energy: 0.742
local terms energy: -524.736205
where:
bonds (distance) C4'-P energy: -92.007
bonds (distance) P-C4' energy: -112.104
flat angles C4'-P-C4' energy: -117.683
flat angles P-C4'-P energy: -64.260
tors. eta vs tors. theta energy: -138.682
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: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1607.555978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.555978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.555978 (E_RNA)
where:
Base-Base interactions energy: -1092.997
where: short stacking energy: -475.358
Base-Backbone interact. energy: -3.111
local terms energy: -511.447599
where:
bonds (distance) C4'-P energy: -96.310
bonds (distance) P-C4' energy: -92.261
flat angles C4'-P-C4' energy: -111.407
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -136.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1468.121093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.121093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.121093 (E_RNA)
where:
Base-Base interactions energy: -1002.121
where: short stacking energy: -428.278
Base-Backbone interact. energy: -2.285
local terms energy: -463.715109
where:
bonds (distance) C4'-P energy: -86.747
bonds (distance) P-C4' energy: -101.435
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -57.163
tors. eta vs tors. theta energy: -112.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1415.379318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.379318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.379318 (E_RNA)
where:
Base-Base interactions energy: -956.904
where: short stacking energy: -431.527
Base-Backbone interact. energy: -1.308
local terms energy: -457.166936
where:
bonds (distance) C4'-P energy: -89.389
bonds (distance) P-C4' energy: -96.317
flat angles C4'-P-C4' energy: -96.411
flat angles P-C4'-P energy: -63.947
tors. eta vs tors. theta energy: -111.103
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: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1333.403452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.403452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.403452 (E_RNA)
where:
Base-Base interactions energy: -904.401
where: short stacking energy: -379.370
Base-Backbone interact. energy: 0.262
local terms energy: -429.263885
where:
bonds (distance) C4'-P energy: -79.878
bonds (distance) P-C4' energy: -81.604
flat angles C4'-P-C4' energy: -98.068
flat angles P-C4'-P energy: -74.160
tors. eta vs tors. theta energy: -95.554
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: 82
Temperature: 1.150000
Total energy: -1122.074600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.074600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.074600 (E_RNA)
where:
Base-Base interactions energy: -735.831
where: short stacking energy: -321.865
Base-Backbone interact. energy: -1.823
local terms energy: -384.419909
where:
bonds (distance) C4'-P energy: -64.120
bonds (distance) P-C4' energy: -103.752
flat angles C4'-P-C4' energy: -89.614
flat angles P-C4'-P energy: -53.206
tors. eta vs tors. theta energy: -73.728
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: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -843.870245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.870245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.870245 (E_RNA)
where:
Base-Base interactions energy: -488.878
where: short stacking energy: -236.981
Base-Backbone interact. energy: -1.094
local terms energy: -353.898340
where:
bonds (distance) C4'-P energy: -86.089
bonds (distance) P-C4' energy: -84.523
flat angles C4'-P-C4' energy: -85.427
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -794.262151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.262151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.262151 (E_RNA)
where:
Base-Base interactions energy: -453.179
where: short stacking energy: -226.668
Base-Backbone interact. energy: -0.865
local terms energy: -340.217816
where:
bonds (distance) C4'-P energy: -79.096
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -94.145
flat angles P-C4'-P energy: -54.791
tors. eta vs tors. theta energy: -36.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -604.733546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.733546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.733546 (E_RNA)
where:
Base-Base interactions energy: -309.154
where: short stacking energy: -162.867
Base-Backbone interact. energy: -1.001
local terms energy: -294.579109
where:
bonds (distance) C4'-P energy: -92.315
bonds (distance) P-C4' energy: -80.605
flat angles C4'-P-C4' energy: -77.718
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -9.459
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: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -438.147707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.147707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.147707 (E_RNA)
where:
Base-Base interactions energy: -211.157
where: short stacking energy: -129.113
Base-Backbone interact. energy: 1.727
local terms energy: -228.717644
where:
bonds (distance) C4'-P energy: -72.587
bonds (distance) P-C4' energy: -78.508
flat angles C4'-P-C4' energy: -67.024
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: 17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1665.666454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.666454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.666454 (E_RNA)
where:
Base-Base interactions energy: -1142.845
where: short stacking energy: -502.796
Base-Backbone interact. energy: -1.184
local terms energy: -521.637025
where:
bonds (distance) C4'-P energy: -90.174
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -115.046
flat angles P-C4'-P energy: -67.902
tors. eta vs tors. theta energy: -146.158
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: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1591.509124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.509124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.509124 (E_RNA)
where:
Base-Base interactions energy: -1096.181
where: short stacking energy: -475.689
Base-Backbone interact. energy: -2.761
local terms energy: -492.566559
where:
bonds (distance) C4'-P energy: -94.104
bonds (distance) P-C4' energy: -99.901
flat angles C4'-P-C4' energy: -104.533
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: -128.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1486.608195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.608195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.608195 (E_RNA)
where:
Base-Base interactions energy: -1011.147
where: short stacking energy: -430.268
Base-Backbone interact. energy: -1.304
local terms energy: -474.157373
where:
bonds (distance) C4'-P energy: -86.882
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -102.033
flat angles P-C4'-P energy: -73.270
tors. eta vs tors. theta energy: -117.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1368.020432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.020432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.020432 (E_RNA)
where:
Base-Base interactions energy: -904.130
where: short stacking energy: -400.107
Base-Backbone interact. energy: -2.020
local terms energy: -461.870866
where:
bonds (distance) C4'-P energy: -93.189
bonds (distance) P-C4' energy: -97.317
flat angles C4'-P-C4' energy: -100.060
flat angles P-C4'-P energy: -62.076
tors. eta vs tors. theta energy: -109.230
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1334.596983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.596983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.596983 (E_RNA)
where:
Base-Base interactions energy: -915.610
where: short stacking energy: -358.207
Base-Backbone interact. energy: -3.662
local terms energy: -415.325603
where:
bonds (distance) C4'-P energy: -84.915
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -97.475
flat angles P-C4'-P energy: -55.298
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1164.200766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.200766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.200766 (E_RNA)
where:
Base-Base interactions energy: -756.640
where: short stacking energy: -344.854
Base-Backbone interact. energy: -1.027
local terms energy: -406.533744
where:
bonds (distance) C4'-P energy: -86.051
bonds (distance) P-C4' energy: -84.287
flat angles C4'-P-C4' energy: -95.344
flat angles P-C4'-P energy: -63.932
tors. eta vs tors. theta energy: -76.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -873.548628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.548628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.548628 (E_RNA)
where:
Base-Base interactions energy: -525.363
where: short stacking energy: -232.519
Base-Backbone interact. energy: -3.688
local terms energy: -344.498139
where:
bonds (distance) C4'-P energy: -81.693
bonds (distance) P-C4' energy: -91.111
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -47.652
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -764.006550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.006550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.006550 (E_RNA)
where:
Base-Base interactions energy: -433.721
where: short stacking energy: -224.947
Base-Backbone interact. energy: 0.044
local terms energy: -330.329025
where:
bonds (distance) C4'-P energy: -78.758
bonds (distance) P-C4' energy: -83.969
flat angles C4'-P-C4' energy: -90.420
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -31.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -622.713190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.713190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.713190 (E_RNA)
where:
Base-Base interactions energy: -332.894
where: short stacking energy: -191.947
Base-Backbone interact. energy: -0.586
local terms energy: -289.233587
where:
bonds (distance) C4'-P energy: -86.013
bonds (distance) P-C4' energy: -77.517
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -384.814528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.814528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.814528 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -110.039
Base-Backbone interact. energy: 0.275
local terms energy: -245.964166
where:
bonds (distance) C4'-P energy: -67.833
bonds (distance) P-C4' energy: -82.837
flat angles C4'-P-C4' energy: -64.345
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: 2.868
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: 84
Temperature: 0.900000
Total energy: -1694.178671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.178671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.178671 (E_RNA)
where:
Base-Base interactions energy: -1163.685
where: short stacking energy: -501.062
Base-Backbone interact. energy: -2.182
local terms energy: -528.311246
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -102.597
flat angles C4'-P-C4' energy: -115.981
flat angles P-C4'-P energy: -79.480
tors. eta vs tors. theta energy: -138.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1569.104278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.104278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.104278 (E_RNA)
where:
Base-Base interactions energy: -1053.896
where: short stacking energy: -465.136
Base-Backbone interact. energy: -3.034
local terms energy: -512.174697
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -104.112
flat angles C4'-P-C4' energy: -105.212
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -131.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1510.677124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.677124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.677124 (E_RNA)
where:
Base-Base interactions energy: -1049.915
where: short stacking energy: -431.126
Base-Backbone interact. energy: -1.221
local terms energy: -459.540772
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -92.133
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -120.152
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: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1405.679482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.679482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.679482 (E_RNA)
where:
Base-Base interactions energy: -922.469
where: short stacking energy: -414.170
Base-Backbone interact. energy: -1.401
local terms energy: -481.809163
where:
bonds (distance) C4'-P energy: -88.916
bonds (distance) P-C4' energy: -93.442
flat angles C4'-P-C4' energy: -109.024
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -123.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1343.799058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.799058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.799058 (E_RNA)
where:
Base-Base interactions energy: -907.859
where: short stacking energy: -379.678
Base-Backbone interact. energy: -1.580
local terms energy: -434.359215
where:
bonds (distance) C4'-P energy: -91.584
bonds (distance) P-C4' energy: -85.483
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -62.150
tors. eta vs tors. theta energy: -91.374
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1106.115929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.115929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.115929 (E_RNA)
where:
Base-Base interactions energy: -728.770
where: short stacking energy: -310.568
Base-Backbone interact. energy: -3.117
local terms energy: -374.229598
where:
bonds (distance) C4'-P energy: -75.255
bonds (distance) P-C4' energy: -80.248
flat angles C4'-P-C4' energy: -88.516
flat angles P-C4'-P energy: -62.113
tors. eta vs tors. theta energy: -68.097
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: 84
Temperature: 1.200000
Total energy: -894.371555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.371555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.371555 (E_RNA)
where:
Base-Base interactions energy: -541.898
where: short stacking energy: -277.221
Base-Backbone interact. energy: 4.857
local terms energy: -357.329912
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -95.004
flat angles C4'-P-C4' energy: -87.584
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -52.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -819.416415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.416415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.416415 (E_RNA)
where:
Base-Base interactions energy: -495.257
where: short stacking energy: -246.982
Base-Backbone interact. energy: -1.829
local terms energy: -322.330588
where:
bonds (distance) C4'-P energy: -77.892
bonds (distance) P-C4' energy: -75.253
flat angles C4'-P-C4' energy: -83.836
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -40.348
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -627.763495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.763495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.763495 (E_RNA)
where:
Base-Base interactions energy: -335.373
where: short stacking energy: -187.976
Base-Backbone interact. energy: 0.194
local terms energy: -292.584691
where:
bonds (distance) C4'-P energy: -72.399
bonds (distance) P-C4' energy: -86.795
flat angles C4'-P-C4' energy: -76.514
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -2.713
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: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -395.182084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.182084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.182084 (E_RNA)
where:
Base-Base interactions energy: -113.876
where: short stacking energy: -97.765
Base-Backbone interact. energy: -0.842
local terms energy: -280.463544
where:
bonds (distance) C4'-P energy: -86.816
bonds (distance) P-C4' energy: -84.746
flat angles C4'-P-C4' energy: -78.812
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: 11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1711.622428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.622428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.622428 (E_RNA)
where:
Base-Base interactions energy: -1183.177
where: short stacking energy: -498.609
Base-Backbone interact. energy: -4.169
local terms energy: -524.276211
where:
bonds (distance) C4'-P energy: -96.373
bonds (distance) P-C4' energy: -105.090
flat angles C4'-P-C4' energy: -113.303
flat angles P-C4'-P energy: -66.888
tors. eta vs tors. theta energy: -142.622
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1591.395855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.395855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.395855 (E_RNA)
where:
Base-Base interactions energy: -1076.701
where: short stacking energy: -488.835
Base-Backbone interact. energy: 1.468
local terms energy: -516.162806
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -95.563
flat angles C4'-P-C4' energy: -99.932
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -145.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1497.516360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.516360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.516360 (E_RNA)
where:
Base-Base interactions energy: -1025.764
where: short stacking energy: -444.189
Base-Backbone interact. energy: 0.379
local terms energy: -472.130827
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -96.855
flat angles C4'-P-C4' energy: -111.254
flat angles P-C4'-P energy: -63.143
tors. eta vs tors. theta energy: -120.117
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: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1411.800309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.800309 (E_RNA)
where:
Base-Base interactions energy: -941.935
where: short stacking energy: -431.065
Base-Backbone interact. energy: 0.383
local terms energy: -470.248315
where:
bonds (distance) C4'-P energy: -78.770
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -101.589
flat angles P-C4'-P energy: -76.733
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: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1362.736559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.736559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.736559 (E_RNA)
where:
Base-Base interactions energy: -936.863
where: short stacking energy: -378.209
Base-Backbone interact. energy: -1.608
local terms energy: -424.266210
where:
bonds (distance) C4'-P energy: -82.815
bonds (distance) P-C4' energy: -91.759
flat angles C4'-P-C4' energy: -98.677
flat angles P-C4'-P energy: -59.188
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: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1153.246161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.246161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.246161 (E_RNA)
where:
Base-Base interactions energy: -763.328
where: short stacking energy: -354.467
Base-Backbone interact. energy: 0.985
local terms energy: -390.903004
where:
bonds (distance) C4'-P energy: -90.071
bonds (distance) P-C4' energy: -79.648
flat angles C4'-P-C4' energy: -80.994
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -86.006
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: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -840.578058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.578058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.578058 (E_RNA)
where:
Base-Base interactions energy: -477.270
where: short stacking energy: -249.716
Base-Backbone interact. energy: -1.892
local terms energy: -361.416194
where:
bonds (distance) C4'-P energy: -96.877
bonds (distance) P-C4' energy: -89.338
flat angles C4'-P-C4' energy: -94.007
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -35.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -836.800905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.800905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.800905 (E_RNA)
where:
Base-Base interactions energy: -475.026
where: short stacking energy: -262.962
Base-Backbone interact. energy: -1.819
local terms energy: -359.956173
where:
bonds (distance) C4'-P energy: -78.093
bonds (distance) P-C4' energy: -90.688
flat angles C4'-P-C4' energy: -81.644
flat angles P-C4'-P energy: -51.459
tors. eta vs tors. theta energy: -58.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -610.655132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.655132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.655132 (E_RNA)
where:
Base-Base interactions energy: -345.586
where: short stacking energy: -171.975
Base-Backbone interact. energy: -1.843
local terms energy: -263.226024
where:
bonds (distance) C4'-P energy: -86.336
bonds (distance) P-C4' energy: -75.518
flat angles C4'-P-C4' energy: -65.751
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: 11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -396.746806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.746806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.746806 (E_RNA)
where:
Base-Base interactions energy: -129.007
where: short stacking energy: -116.695
Base-Backbone interact. energy: 1.641
local terms energy: -269.381259
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -62.690
flat angles P-C4'-P energy: -47.329
tors. eta vs tors. theta energy: 13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1678.721559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.721559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.721559 (E_RNA)
where:
Base-Base interactions energy: -1139.693
where: short stacking energy: -497.721
Base-Backbone interact. energy: -6.335
local terms energy: -532.693068
where:
bonds (distance) C4'-P energy: -91.787
bonds (distance) P-C4' energy: -103.831
flat angles C4'-P-C4' energy: -112.364
flat angles P-C4'-P energy: -81.659
tors. eta vs tors. theta energy: -143.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1567.984327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.984327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.984327 (E_RNA)
where:
Base-Base interactions energy: -1069.386
where: short stacking energy: -455.278
Base-Backbone interact. energy: -2.580
local terms energy: -496.019233
where:
bonds (distance) C4'-P energy: -97.611
bonds (distance) P-C4' energy: -92.500
flat angles C4'-P-C4' energy: -105.718
flat angles P-C4'-P energy: -64.858
tors. eta vs tors. theta energy: -135.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1526.432786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.432786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.432786 (E_RNA)
where:
Base-Base interactions energy: -1087.795
where: short stacking energy: -457.408
Base-Backbone interact. energy: -1.560
local terms energy: -437.077838
where:
bonds (distance) C4'-P energy: -93.005
bonds (distance) P-C4' energy: -80.410
flat angles C4'-P-C4' energy: -93.981
flat angles P-C4'-P energy: -63.994
tors. eta vs tors. theta energy: -105.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1373.042826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.042826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.042826 (E_RNA)
where:
Base-Base interactions energy: -931.874
where: short stacking energy: -413.845
Base-Backbone interact. energy: 0.931
local terms energy: -442.099831
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -94.246
flat angles C4'-P-C4' energy: -98.825
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -106.733
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: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1364.634413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.634413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.634413 (E_RNA)
where:
Base-Base interactions energy: -934.929
where: short stacking energy: -382.939
Base-Backbone interact. energy: -0.283
local terms energy: -429.422254
where:
bonds (distance) C4'-P energy: -81.345
bonds (distance) P-C4' energy: -94.734
flat angles C4'-P-C4' energy: -94.846
flat angles P-C4'-P energy: -64.925
tors. eta vs tors. theta energy: -93.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1212.137468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.137468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.137468 (E_RNA)
where:
Base-Base interactions energy: -792.177
where: short stacking energy: -363.813
Base-Backbone interact. energy: -1.225
local terms energy: -418.735308
where:
bonds (distance) C4'-P energy: -96.342
bonds (distance) P-C4' energy: -97.268
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -84.107
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: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -851.231106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.231106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.231106 (E_RNA)
where:
Base-Base interactions energy: -498.699
where: short stacking energy: -244.333
Base-Backbone interact. energy: 0.586
local terms energy: -353.118681
where:
bonds (distance) C4'-P energy: -96.956
bonds (distance) P-C4' energy: -86.812
flat angles C4'-P-C4' energy: -82.908
flat angles P-C4'-P energy: -47.314
tors. eta vs tors. theta energy: -39.129
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: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -763.778456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.778456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.778456 (E_RNA)
where:
Base-Base interactions energy: -441.750
where: short stacking energy: -214.405
Base-Backbone interact. energy: 1.839
local terms energy: -323.867534
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -93.482
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -52.189
tors. eta vs tors. theta energy: -33.996
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -691.084549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.084549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.084549 (E_RNA)
where:
Base-Base interactions energy: -368.151
where: short stacking energy: -197.796
Base-Backbone interact. energy: -1.513
local terms energy: -321.421398
where:
bonds (distance) C4'-P energy: -80.273
bonds (distance) P-C4' energy: -88.355
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -24.253
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: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -389.200451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.200451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.200451 (E_RNA)
where:
Base-Base interactions energy: -143.496
where: short stacking energy: -113.056
Base-Backbone interact. energy: 1.505
local terms energy: -247.209431
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -76.401
flat angles C4'-P-C4' energy: -74.871
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: 18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1672.876445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.876445 (E_RNA)
where:
Base-Base interactions energy: -1141.121
where: short stacking energy: -500.429
Base-Backbone interact. energy: -2.616
local terms energy: -529.139286
where:
bonds (distance) C4'-P energy: -95.360
bonds (distance) P-C4' energy: -93.578
flat angles C4'-P-C4' energy: -116.267
flat angles P-C4'-P energy: -74.784
tors. eta vs tors. theta energy: -149.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1543.225856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.225856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.225856 (E_RNA)
where:
Base-Base interactions energy: -1024.382
where: short stacking energy: -483.250
Base-Backbone interact. energy: -2.367
local terms energy: -516.476487
where:
bonds (distance) C4'-P energy: -100.378
bonds (distance) P-C4' energy: -97.467
flat angles C4'-P-C4' energy: -117.538
flat angles P-C4'-P energy: -58.441
tors. eta vs tors. theta energy: -142.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1545.724873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.724873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.724873 (E_RNA)
where:
Base-Base interactions energy: -1063.511
where: short stacking energy: -441.700
Base-Backbone interact. energy: -3.001
local terms energy: -479.212329
where:
bonds (distance) C4'-P energy: -96.590
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -112.560
flat angles P-C4'-P energy: -64.776
tors. eta vs tors. theta energy: -116.982
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: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1383.039715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.039715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.039715 (E_RNA)
where:
Base-Base interactions energy: -955.218
where: short stacking energy: -394.003
Base-Backbone interact. energy: 0.315
local terms energy: -428.136437
where:
bonds (distance) C4'-P energy: -90.255
bonds (distance) P-C4' energy: -87.834
flat angles C4'-P-C4' energy: -93.160
flat angles P-C4'-P energy: -69.473
tors. eta vs tors. theta energy: -87.415
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1315.545380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.545380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.545380 (E_RNA)
where:
Base-Base interactions energy: -874.787
where: short stacking energy: -389.923
Base-Backbone interact. energy: 2.824
local terms energy: -443.582406
where:
bonds (distance) C4'-P energy: -94.216
bonds (distance) P-C4' energy: -98.285
flat angles C4'-P-C4' energy: -96.186
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: -108.539
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1209.079642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.079642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.079642 (E_RNA)
where:
Base-Base interactions energy: -801.084
where: short stacking energy: -351.299
Base-Backbone interact. energy: 2.125
local terms energy: -410.120224
where:
bonds (distance) C4'-P energy: -87.999
bonds (distance) P-C4' energy: -81.598
flat angles C4'-P-C4' energy: -94.924
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -82.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -831.706097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.706097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.706097 (E_RNA)
where:
Base-Base interactions energy: -489.188
where: short stacking energy: -226.132
Base-Backbone interact. energy: -2.671
local terms energy: -339.847613
where:
bonds (distance) C4'-P energy: -81.675
bonds (distance) P-C4' energy: -80.265
flat angles C4'-P-C4' energy: -85.818
flat angles P-C4'-P energy: -58.421
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -760.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.637799 (E_RNA)
where:
Base-Base interactions energy: -432.848
where: short stacking energy: -212.294
Base-Backbone interact. energy: 1.064
local terms energy: -328.853385
where:
bonds (distance) C4'-P energy: -81.307
bonds (distance) P-C4' energy: -99.440
flat angles C4'-P-C4' energy: -77.825
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -34.637
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: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -657.773464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.773464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.773464 (E_RNA)
where:
Base-Base interactions energy: -319.396
where: short stacking energy: -174.340
Base-Backbone interact. energy: 2.587
local terms energy: -340.964478
where:
bonds (distance) C4'-P energy: -89.878
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -63.515
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -409.130311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.130311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.130311 (E_RNA)
where:
Base-Base interactions energy: -166.233
where: short stacking energy: -128.202
Base-Backbone interact. energy: 0.374
local terms energy: -243.270660
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -93.890
flat angles C4'-P-C4' energy: -66.042
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: 16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1699.872595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.872595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.872595 (E_RNA)
where:
Base-Base interactions energy: -1168.598
where: short stacking energy: -521.511
Base-Backbone interact. energy: 0.055
local terms energy: -531.329303
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -108.487
flat angles C4'-P-C4' energy: -111.983
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -147.829
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: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1558.076913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.076913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.076913 (E_RNA)
where:
Base-Base interactions energy: -1055.301
where: short stacking energy: -458.876
Base-Backbone interact. energy: -2.043
local terms energy: -500.732347
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -104.176
flat angles C4'-P-C4' energy: -106.501
flat angles P-C4'-P energy: -66.885
tors. eta vs tors. theta energy: -135.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1531.561183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.561183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.561183 (E_RNA)
where:
Base-Base interactions energy: -1050.034
where: short stacking energy: -436.232
Base-Backbone interact. energy: -0.714
local terms energy: -480.813501
where:
bonds (distance) C4'-P energy: -97.552
bonds (distance) P-C4' energy: -78.326
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -78.122
tors. eta vs tors. theta energy: -119.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1413.770492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.770492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.770492 (E_RNA)
where:
Base-Base interactions energy: -949.563
where: short stacking energy: -383.790
Base-Backbone interact. energy: -2.280
local terms energy: -461.927002
where:
bonds (distance) C4'-P energy: -87.334
bonds (distance) P-C4' energy: -105.989
flat angles C4'-P-C4' energy: -112.524
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -100.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1293.896350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.896350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.896350 (E_RNA)
where:
Base-Base interactions energy: -856.991
where: short stacking energy: -393.628
Base-Backbone interact. energy: -1.583
local terms energy: -435.322505
where:
bonds (distance) C4'-P energy: -91.576
bonds (distance) P-C4' energy: -83.237
flat angles C4'-P-C4' energy: -91.578
flat angles P-C4'-P energy: -64.478
tors. eta vs tors. theta energy: -104.454
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: 88
Temperature: 1.150000
Total energy: -1220.563155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.563155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.563155 (E_RNA)
where:
Base-Base interactions energy: -801.508
where: short stacking energy: -360.444
Base-Backbone interact. energy: -0.153
local terms energy: -418.902088
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -92.065
flat angles C4'-P-C4' energy: -91.216
flat angles P-C4'-P energy: -55.086
tors. eta vs tors. theta energy: -95.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -902.033823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.033823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.033823 (E_RNA)
where:
Base-Base interactions energy: -531.615
where: short stacking energy: -271.111
Base-Backbone interact. energy: -0.634
local terms energy: -369.785279
where:
bonds (distance) C4'-P energy: -77.758
bonds (distance) P-C4' energy: -89.950
flat angles C4'-P-C4' energy: -84.151
flat angles P-C4'-P energy: -59.080
tors. eta vs tors. theta energy: -58.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -702.708947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.708947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.708947 (E_RNA)
where:
Base-Base interactions energy: -380.255
where: short stacking energy: -202.820
Base-Backbone interact. energy: 1.805
local terms energy: -324.259167
where:
bonds (distance) C4'-P energy: -78.382
bonds (distance) P-C4' energy: -94.541
flat angles C4'-P-C4' energy: -75.948
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -613.152695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.152695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.152695 (E_RNA)
where:
Base-Base interactions energy: -315.853
where: short stacking energy: -182.319
Base-Backbone interact. energy: -1.601
local terms energy: -295.698805
where:
bonds (distance) C4'-P energy: -83.363
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -13.076
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: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -415.758544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.758544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.758544 (E_RNA)
where:
Base-Base interactions energy: -154.064
where: short stacking energy: -126.982
Base-Backbone interact. energy: -1.433
local terms energy: -260.261829
where:
bonds (distance) C4'-P energy: -91.062
bonds (distance) P-C4' energy: -78.816
flat angles C4'-P-C4' energy: -64.288
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: 11.004
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: 89
Temperature: 0.900000
Total energy: -1646.712399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.712399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.712399 (E_RNA)
where:
Base-Base interactions energy: -1133.301
where: short stacking energy: -503.382
Base-Backbone interact. energy: 0.533
local terms energy: -513.943790
where:
bonds (distance) C4'-P energy: -100.981
bonds (distance) P-C4' energy: -102.387
flat angles C4'-P-C4' energy: -108.779
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -140.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1540.948016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.948016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.948016 (E_RNA)
where:
Base-Base interactions energy: -1039.953
where: short stacking energy: -468.688
Base-Backbone interact. energy: -1.312
local terms energy: -499.682974
where:
bonds (distance) C4'-P energy: -89.810
bonds (distance) P-C4' energy: -93.828
flat angles C4'-P-C4' energy: -108.216
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -146.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1512.555712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.555712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.555712 (E_RNA)
where:
Base-Base interactions energy: -1041.141
where: short stacking energy: -420.662
Base-Backbone interact. energy: -2.149
local terms energy: -469.265481
where:
bonds (distance) C4'-P energy: -93.106
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -74.873
tors. eta vs tors. theta energy: -111.623
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: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1373.852828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.852828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.852828 (E_RNA)
where:
Base-Base interactions energy: -926.730
where: short stacking energy: -405.639
Base-Backbone interact. energy: -1.963
local terms energy: -445.159373
where:
bonds (distance) C4'-P energy: -88.279
bonds (distance) P-C4' energy: -100.796
flat angles C4'-P-C4' energy: -97.366
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -100.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1301.842887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.842887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.842887 (E_RNA)
where:
Base-Base interactions energy: -876.874
where: short stacking energy: -382.747
Base-Backbone interact. energy: -1.403
local terms energy: -423.565691
where:
bonds (distance) C4'-P energy: -88.298
bonds (distance) P-C4' energy: -81.547
flat angles C4'-P-C4' energy: -98.804
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -97.613
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: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1178.671839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.671839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.671839 (E_RNA)
where:
Base-Base interactions energy: -768.133
where: short stacking energy: -347.618
Base-Backbone interact. energy: 1.354
local terms energy: -411.892806
where:
bonds (distance) C4'-P energy: -97.260
bonds (distance) P-C4' energy: -80.461
flat angles C4'-P-C4' energy: -84.911
flat angles P-C4'-P energy: -59.761
tors. eta vs tors. theta energy: -89.499
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -870.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.045911 (E_RNA)
where:
Base-Base interactions energy: -519.228
where: short stacking energy: -266.359
Base-Backbone interact. energy: -0.126
local terms energy: -350.692414
where:
bonds (distance) C4'-P energy: -70.668
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -85.886
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -60.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -777.620003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.620003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.620003 (E_RNA)
where:
Base-Base interactions energy: -465.173
where: short stacking energy: -249.576
Base-Backbone interact. energy: -1.208
local terms energy: -311.238844
where:
bonds (distance) C4'-P energy: -79.082
bonds (distance) P-C4' energy: -76.509
flat angles C4'-P-C4' energy: -81.717
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -699.685015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.685015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.685015 (E_RNA)
where:
Base-Base interactions energy: -383.562
where: short stacking energy: -201.807
Base-Backbone interact. energy: -1.758
local terms energy: -314.364909
where:
bonds (distance) C4'-P energy: -80.024
bonds (distance) P-C4' energy: -90.062
flat angles C4'-P-C4' energy: -85.350
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -386.082418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.082418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.082418 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -129.278
Base-Backbone interact. energy: -0.906
local terms energy: -242.209882
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -71.174
flat angles C4'-P-C4' energy: -80.982
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: 16.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1689.891153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.891153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.891153 (E_RNA)
where:
Base-Base interactions energy: -1155.547
where: short stacking energy: -522.972
Base-Backbone interact. energy: -1.636
local terms energy: -532.708263
where:
bonds (distance) C4'-P energy: -111.461
bonds (distance) P-C4' energy: -107.329
flat angles C4'-P-C4' energy: -101.701
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -141.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1535.460415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.460415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.460415 (E_RNA)
where:
Base-Base interactions energy: -1035.044
where: short stacking energy: -466.520
Base-Backbone interact. energy: -1.606
local terms energy: -498.810264
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -89.262
flat angles C4'-P-C4' energy: -102.299
flat angles P-C4'-P energy: -74.253
tors. eta vs tors. theta energy: -131.809
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: 90
Temperature: 1.000000
Total energy: -1515.268861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.268861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.268861 (E_RNA)
where:
Base-Base interactions energy: -1018.294
where: short stacking energy: -424.688
Base-Backbone interact. energy: -1.388
local terms energy: -495.586277
where:
bonds (distance) C4'-P energy: -105.632
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -110.400
flat angles P-C4'-P energy: -67.065
tors. eta vs tors. theta energy: -118.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1402.150704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.150704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.150704 (E_RNA)
where:
Base-Base interactions energy: -982.487
where: short stacking energy: -390.227
Base-Backbone interact. energy: 3.495
local terms energy: -423.159288
where:
bonds (distance) C4'-P energy: -87.043
bonds (distance) P-C4' energy: -83.108
flat angles C4'-P-C4' energy: -103.188
flat angles P-C4'-P energy: -54.302
tors. eta vs tors. theta energy: -95.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1345.298997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.298997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.298997 (E_RNA)
where:
Base-Base interactions energy: -912.872
where: short stacking energy: -413.100
Base-Backbone interact. energy: -1.471
local terms energy: -430.956520
where:
bonds (distance) C4'-P energy: -82.879
bonds (distance) P-C4' energy: -81.557
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -110.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1199.049630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.049630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.049630 (E_RNA)
where:
Base-Base interactions energy: -794.388
where: short stacking energy: -357.738
Base-Backbone interact. energy: 3.090
local terms energy: -407.751804
where:
bonds (distance) C4'-P energy: -89.060
bonds (distance) P-C4' energy: -78.604
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -62.181
tors. eta vs tors. theta energy: -76.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -853.442992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.442992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.442992 (E_RNA)
where:
Base-Base interactions energy: -496.284
where: short stacking energy: -246.887
Base-Backbone interact. energy: 1.210
local terms energy: -358.368333
where:
bonds (distance) C4'-P energy: -79.105
bonds (distance) P-C4' energy: -78.829
flat angles C4'-P-C4' energy: -84.160
flat angles P-C4'-P energy: -59.523
tors. eta vs tors. theta energy: -56.752
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: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -769.550779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.550779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.550779 (E_RNA)
where:
Base-Base interactions energy: -445.326
where: short stacking energy: -252.733
Base-Backbone interact. energy: -1.568
local terms energy: -322.656559
where:
bonds (distance) C4'-P energy: -78.370
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -84.086
flat angles P-C4'-P energy: -49.039
tors. eta vs tors. theta energy: -37.867
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -698.261439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.261439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.261439 (E_RNA)
where:
Base-Base interactions energy: -414.813
where: short stacking energy: -219.257
Base-Backbone interact. energy: -1.303
local terms energy: -282.144902
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -83.090
flat angles C4'-P-C4' energy: -81.616
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -26.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -441.752623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.752623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.752623 (E_RNA)
where:
Base-Base interactions energy: -201.105
where: short stacking energy: -139.197
Base-Backbone interact. energy: 0.422
local terms energy: -241.069861
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -82.018
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -32.124
tors. eta vs tors. theta energy: 12.613
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: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1674.962312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.962312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.962312 (E_RNA)
where:
Base-Base interactions energy: -1154.815
where: short stacking energy: -512.360
Base-Backbone interact. energy: -0.192
local terms energy: -519.954967
where:
bonds (distance) C4'-P energy: -92.165
bonds (distance) P-C4' energy: -88.304
flat angles C4'-P-C4' energy: -111.856
flat angles P-C4'-P energy: -73.781
tors. eta vs tors. theta energy: -153.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1554.365072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.365072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.365072 (E_RNA)
where:
Base-Base interactions energy: -1058.105
where: short stacking energy: -476.711
Base-Backbone interact. energy: -1.422
local terms energy: -494.838885
where:
bonds (distance) C4'-P energy: -90.856
bonds (distance) P-C4' energy: -101.148
flat angles C4'-P-C4' energy: -107.637
flat angles P-C4'-P energy: -66.198
tors. eta vs tors. theta energy: -128.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1504.857167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.857167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.857167 (E_RNA)
where:
Base-Base interactions energy: -1027.276
where: short stacking energy: -424.556
Base-Backbone interact. energy: -0.298
local terms energy: -477.283370
where:
bonds (distance) C4'-P energy: -94.604
bonds (distance) P-C4' energy: -101.524
flat angles C4'-P-C4' energy: -104.674
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -110.009
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: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1395.511412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.511412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.511412 (E_RNA)
where:
Base-Base interactions energy: -951.865
where: short stacking energy: -409.543
Base-Backbone interact. energy: -0.929
local terms energy: -442.718327
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -78.615
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -79.230
tors. eta vs tors. theta energy: -96.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1328.435859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.435859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.435859 (E_RNA)
where:
Base-Base interactions energy: -913.798
where: short stacking energy: -405.702
Base-Backbone interact. energy: -2.378
local terms energy: -412.259267
where:
bonds (distance) C4'-P energy: -88.899
bonds (distance) P-C4' energy: -72.200
flat angles C4'-P-C4' energy: -99.294
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -106.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1197.664079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.664079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.664079 (E_RNA)
where:
Base-Base interactions energy: -799.273
where: short stacking energy: -344.356
Base-Backbone interact. energy: 2.390
local terms energy: -400.780650
where:
bonds (distance) C4'-P energy: -99.419
bonds (distance) P-C4' energy: -84.865
flat angles C4'-P-C4' energy: -82.584
flat angles P-C4'-P energy: -57.048
tors. eta vs tors. theta energy: -76.864
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -862.457401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.457401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.457401 (E_RNA)
where:
Base-Base interactions energy: -532.814
where: short stacking energy: -268.656
Base-Backbone interact. energy: -2.511
local terms energy: -327.132313
where:
bonds (distance) C4'-P energy: -78.127
bonds (distance) P-C4' energy: -80.680
flat angles C4'-P-C4' energy: -82.750
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -40.350
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: 91
Temperature: 1.250000
Total energy: -783.375071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.375071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.375071 (E_RNA)
where:
Base-Base interactions energy: -444.175
where: short stacking energy: -225.954
Base-Backbone interact. energy: -3.560
local terms energy: -335.640252
where:
bonds (distance) C4'-P energy: -82.502
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -74.313
flat angles P-C4'-P energy: -53.027
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -820.702000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.702000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.702000 (E_RNA)
where:
Base-Base interactions energy: -500.535
where: short stacking energy: -241.494
Base-Backbone interact. energy: 3.816
local terms energy: -323.982331
where:
bonds (distance) C4'-P energy: -77.174
bonds (distance) P-C4' energy: -84.708
flat angles C4'-P-C4' energy: -79.252
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -32.451
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: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -470.756644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.756644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.756644 (E_RNA)
where:
Base-Base interactions energy: -218.532
where: short stacking energy: -138.879
Base-Backbone interact. energy: 0.425
local terms energy: -252.649503
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -76.451
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: 5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1656.788408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.788408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.788408 (E_RNA)
where:
Base-Base interactions energy: -1128.614
where: short stacking energy: -518.986
Base-Backbone interact. energy: -1.606
local terms energy: -526.567739
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -101.232
flat angles C4'-P-C4' energy: -112.541
flat angles P-C4'-P energy: -56.481
tors. eta vs tors. theta energy: -148.777
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: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1590.171336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.171336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.171336 (E_RNA)
where:
Base-Base interactions energy: -1095.274
where: short stacking energy: -475.541
Base-Backbone interact. energy: -3.183
local terms energy: -491.714265
where:
bonds (distance) C4'-P energy: -93.881
bonds (distance) P-C4' energy: -84.072
flat angles C4'-P-C4' energy: -103.358
flat angles P-C4'-P energy: -72.608
tors. eta vs tors. theta energy: -137.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1484.141877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.141877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.141877 (E_RNA)
where:
Base-Base interactions energy: -1027.129
where: short stacking energy: -410.981
Base-Backbone interact. energy: -1.740
local terms energy: -455.273508
where:
bonds (distance) C4'-P energy: -78.518
bonds (distance) P-C4' energy: -96.760
flat angles C4'-P-C4' energy: -106.592
flat angles P-C4'-P energy: -70.710
tors. eta vs tors. theta energy: -102.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1418.136457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.136457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.136457 (E_RNA)
where:
Base-Base interactions energy: -963.309
where: short stacking energy: -408.644
Base-Backbone interact. energy: -4.331
local terms energy: -450.496992
where:
bonds (distance) C4'-P energy: -84.726
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -98.882
flat angles P-C4'-P energy: -57.424
tors. eta vs tors. theta energy: -111.309
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: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1319.888234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.888234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.888234 (E_RNA)
where:
Base-Base interactions energy: -882.652
where: short stacking energy: -380.700
Base-Backbone interact. energy: 4.020
local terms energy: -441.256122
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -95.675
flat angles C4'-P-C4' energy: -99.159
flat angles P-C4'-P energy: -59.256
tors. eta vs tors. theta energy: -100.957
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: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1238.411477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.411477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.411477 (E_RNA)
where:
Base-Base interactions energy: -829.584
where: short stacking energy: -385.681
Base-Backbone interact. energy: 0.938
local terms energy: -409.766236
where:
bonds (distance) C4'-P energy: -77.633
bonds (distance) P-C4' energy: -82.585
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -102.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -905.757064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.757064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.757064 (E_RNA)
where:
Base-Base interactions energy: -550.037
where: short stacking energy: -260.225
Base-Backbone interact. energy: -2.402
local terms energy: -353.317572
where:
bonds (distance) C4'-P energy: -69.917
bonds (distance) P-C4' energy: -84.105
flat angles C4'-P-C4' energy: -91.510
flat angles P-C4'-P energy: -48.007
tors. eta vs tors. theta energy: -59.778
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: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -755.469444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.469444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.469444 (E_RNA)
where:
Base-Base interactions energy: -421.252
where: short stacking energy: -218.251
Base-Backbone interact. energy: 0.284
local terms energy: -334.500950
where:
bonds (distance) C4'-P energy: -88.018
bonds (distance) P-C4' energy: -85.890
flat angles C4'-P-C4' energy: -90.797
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -879.540301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.540301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.540301 (E_RNA)
where:
Base-Base interactions energy: -544.432
where: short stacking energy: -252.177
Base-Backbone interact. energy: 1.464
local terms energy: -336.572400
where:
bonds (distance) C4'-P energy: -74.117
bonds (distance) P-C4' energy: -77.561
flat angles C4'-P-C4' energy: -94.504
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -41.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -457.190105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.190105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.190105 (E_RNA)
where:
Base-Base interactions energy: -216.776
where: short stacking energy: -155.895
Base-Backbone interact. energy: 0.602
local terms energy: -241.015622
where:
bonds (distance) C4'-P energy: -72.666
bonds (distance) P-C4' energy: -60.307
flat angles C4'-P-C4' energy: -75.219
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1634.960954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.960954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.960954 (E_RNA)
where:
Base-Base interactions energy: -1121.998
where: short stacking energy: -494.670
Base-Backbone interact. energy: -3.059
local terms energy: -509.904623
where:
bonds (distance) C4'-P energy: -95.112
bonds (distance) P-C4' energy: -101.547
flat angles C4'-P-C4' energy: -110.260
flat angles P-C4'-P energy: -69.996
tors. eta vs tors. theta energy: -132.990
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1553.415232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.415232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.415232 (E_RNA)
where:
Base-Base interactions energy: -1060.993
where: short stacking energy: -465.535
Base-Backbone interact. energy: -1.238
local terms energy: -491.183988
where:
bonds (distance) C4'-P energy: -98.015
bonds (distance) P-C4' energy: -89.930
flat angles C4'-P-C4' energy: -105.569
flat angles P-C4'-P energy: -74.757
tors. eta vs tors. theta energy: -122.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1540.286696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.286696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.286696 (E_RNA)
where:
Base-Base interactions energy: -1082.737
where: short stacking energy: -424.099
Base-Backbone interact. energy: -2.224
local terms energy: -455.326486
where:
bonds (distance) C4'-P energy: -84.527
bonds (distance) P-C4' energy: -95.880
flat angles C4'-P-C4' energy: -102.960
flat angles P-C4'-P energy: -61.392
tors. eta vs tors. theta energy: -110.567
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: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1418.903966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.903966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.903966 (E_RNA)
where:
Base-Base interactions energy: -972.034
where: short stacking energy: -408.265
Base-Backbone interact. energy: -0.710
local terms energy: -446.159964
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -102.528
flat angles P-C4'-P energy: -63.434
tors. eta vs tors. theta energy: -107.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1294.932121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.932121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.932121 (E_RNA)
where:
Base-Base interactions energy: -840.817
where: short stacking energy: -368.395
Base-Backbone interact. energy: -3.523
local terms energy: -450.592489
where:
bonds (distance) C4'-P energy: -99.933
bonds (distance) P-C4' energy: -86.539
flat angles C4'-P-C4' energy: -93.827
flat angles P-C4'-P energy: -73.379
tors. eta vs tors. theta energy: -96.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1197.741408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.741408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.741408 (E_RNA)
where:
Base-Base interactions energy: -794.060
where: short stacking energy: -348.784
Base-Backbone interact. energy: 0.943
local terms energy: -404.624946
where:
bonds (distance) C4'-P energy: -90.442
bonds (distance) P-C4' energy: -90.785
flat angles C4'-P-C4' energy: -83.333
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -75.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -909.151822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.151822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.151822 (E_RNA)
where:
Base-Base interactions energy: -531.764
where: short stacking energy: -246.869
Base-Backbone interact. energy: -2.271
local terms energy: -375.116487
where:
bonds (distance) C4'-P energy: -81.408
bonds (distance) P-C4' energy: -93.421
flat angles C4'-P-C4' energy: -86.181
flat angles P-C4'-P energy: -63.735
tors. eta vs tors. theta energy: -50.371
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: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -901.393383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.393383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.393383 (E_RNA)
where:
Base-Base interactions energy: -549.990
where: short stacking energy: -260.564
Base-Backbone interact. energy: -1.387
local terms energy: -350.016542
where:
bonds (distance) C4'-P energy: -73.560
bonds (distance) P-C4' energy: -87.636
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -52.286
tors. eta vs tors. theta energy: -46.072
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: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -712.623002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.623002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.623002 (E_RNA)
where:
Base-Base interactions energy: -423.419
where: short stacking energy: -210.339
Base-Backbone interact. energy: 4.052
local terms energy: -293.256198
where:
bonds (distance) C4'-P energy: -61.480
bonds (distance) P-C4' energy: -90.030
flat angles C4'-P-C4' energy: -75.657
flat angles P-C4'-P energy: -46.988
tors. eta vs tors. theta energy: -19.101
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: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -381.278222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.278222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.278222 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -104.935
Base-Backbone interact. energy: 0.795
local terms energy: -259.812644
where:
bonds (distance) C4'-P energy: -84.896
bonds (distance) P-C4' energy: -76.881
flat angles C4'-P-C4' energy: -78.313
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: 17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1678.259184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.259184 (E_RNA)
where:
Base-Base interactions energy: -1140.357
where: short stacking energy: -498.393
Base-Backbone interact. energy: -1.489
local terms energy: -536.413745
where:
bonds (distance) C4'-P energy: -109.502
bonds (distance) P-C4' energy: -93.809
flat angles C4'-P-C4' energy: -113.484
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -148.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1535.766488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.766488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.766488 (E_RNA)
where:
Base-Base interactions energy: -1040.028
where: short stacking energy: -446.933
Base-Backbone interact. energy: -1.062
local terms energy: -494.675954
where:
bonds (distance) C4'-P energy: -87.189
bonds (distance) P-C4' energy: -104.605
flat angles C4'-P-C4' energy: -108.222
flat angles P-C4'-P energy: -75.051
tors. eta vs tors. theta energy: -119.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1508.301562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.301562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.301562 (E_RNA)
where:
Base-Base interactions energy: -1043.785
where: short stacking energy: -435.491
Base-Backbone interact. energy: -1.449
local terms energy: -463.067484
where:
bonds (distance) C4'-P energy: -82.142
bonds (distance) P-C4' energy: -92.525
flat angles C4'-P-C4' energy: -107.712
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -112.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1389.860227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.860227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.860227 (E_RNA)
where:
Base-Base interactions energy: -936.865
where: short stacking energy: -388.961
Base-Backbone interact. energy: -2.311
local terms energy: -450.683749
where:
bonds (distance) C4'-P energy: -84.847
bonds (distance) P-C4' energy: -103.342
flat angles C4'-P-C4' energy: -108.686
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -98.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1307.011635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.011635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.011635 (E_RNA)
where:
Base-Base interactions energy: -887.777
where: short stacking energy: -405.584
Base-Backbone interact. energy: -0.031
local terms energy: -419.203069
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -73.183
flat angles C4'-P-C4' energy: -91.717
flat angles P-C4'-P energy: -60.104
tors. eta vs tors. theta energy: -105.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1192.428933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.428933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.428933 (E_RNA)
where:
Base-Base interactions energy: -818.974
where: short stacking energy: -346.951
Base-Backbone interact. energy: -0.968
local terms energy: -372.487216
where:
bonds (distance) C4'-P energy: -71.332
bonds (distance) P-C4' energy: -79.308
flat angles C4'-P-C4' energy: -82.427
flat angles P-C4'-P energy: -47.240
tors. eta vs tors. theta energy: -92.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -910.931071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.931071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.931071 (E_RNA)
where:
Base-Base interactions energy: -571.374
where: short stacking energy: -260.782
Base-Backbone interact. energy: -1.906
local terms energy: -337.650872
where:
bonds (distance) C4'-P energy: -74.558
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -87.743
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -870.632017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.632017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.632017 (E_RNA)
where:
Base-Base interactions energy: -531.664
where: short stacking energy: -259.127
Base-Backbone interact. energy: -0.591
local terms energy: -338.377481
where:
bonds (distance) C4'-P energy: -85.697
bonds (distance) P-C4' energy: -70.199
flat angles C4'-P-C4' energy: -80.773
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -46.573
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: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -715.382754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.382754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.382754 (E_RNA)
where:
Base-Base interactions energy: -421.669
where: short stacking energy: -202.330
Base-Backbone interact. energy: -1.218
local terms energy: -292.495592
where:
bonds (distance) C4'-P energy: -75.750
bonds (distance) P-C4' energy: -91.663
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -399.125557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.125557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.125557 (E_RNA)
where:
Base-Base interactions energy: -147.717
where: short stacking energy: -107.888
Base-Backbone interact. energy: -1.940
local terms energy: -249.468099
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -96.894
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: 2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1682.399196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.399196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.399196 (E_RNA)
where:
Base-Base interactions energy: -1172.306
where: short stacking energy: -505.384
Base-Backbone interact. energy: 0.660
local terms energy: -510.753103
where:
bonds (distance) C4'-P energy: -95.588
bonds (distance) P-C4' energy: -93.022
flat angles C4'-P-C4' energy: -111.095
flat angles P-C4'-P energy: -68.191
tors. eta vs tors. theta energy: -142.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1555.680119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.680119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.680119 (E_RNA)
where:
Base-Base interactions energy: -1043.702
where: short stacking energy: -484.316
Base-Backbone interact. energy: -2.003
local terms energy: -509.975038
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -69.444
tors. eta vs tors. theta energy: -139.834
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: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1512.671576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.671576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.671576 (E_RNA)
where:
Base-Base interactions energy: -1051.148
where: short stacking energy: -452.253
Base-Backbone interact. energy: -1.366
local terms energy: -460.156861
where:
bonds (distance) C4'-P energy: -86.315
bonds (distance) P-C4' energy: -96.280
flat angles C4'-P-C4' energy: -103.647
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -113.992
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: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1381.673964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.673964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.673964 (E_RNA)
where:
Base-Base interactions energy: -941.343
where: short stacking energy: -395.764
Base-Backbone interact. energy: -2.155
local terms energy: -438.175689
where:
bonds (distance) C4'-P energy: -88.557
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -108.265
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -99.682
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1335.581291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.581291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.581291 (E_RNA)
where:
Base-Base interactions energy: -908.124
where: short stacking energy: -414.098
Base-Backbone interact. energy: 0.401
local terms energy: -427.858101
where:
bonds (distance) C4'-P energy: -84.363
bonds (distance) P-C4' energy: -78.521
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -58.458
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1257.765810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.765810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.765810 (E_RNA)
where:
Base-Base interactions energy: -841.475
where: short stacking energy: -369.976
Base-Backbone interact. energy: -2.496
local terms energy: -413.794996
where:
bonds (distance) C4'-P energy: -78.177
bonds (distance) P-C4' energy: -85.791
flat angles C4'-P-C4' energy: -92.004
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -91.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -936.861986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.861986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.861986 (E_RNA)
where:
Base-Base interactions energy: -554.957
where: short stacking energy: -297.370
Base-Backbone interact. energy: -2.838
local terms energy: -379.066311
where:
bonds (distance) C4'-P energy: -81.465
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -87.971
flat angles P-C4'-P energy: -51.393
tors. eta vs tors. theta energy: -69.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -866.180835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.180835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.180835 (E_RNA)
where:
Base-Base interactions energy: -539.560
where: short stacking energy: -250.694
Base-Backbone interact. energy: -2.408
local terms energy: -324.212947
where:
bonds (distance) C4'-P energy: -68.745
bonds (distance) P-C4' energy: -88.488
flat angles C4'-P-C4' energy: -74.469
flat angles P-C4'-P energy: -46.916
tors. eta vs tors. theta energy: -45.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -718.348528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.348528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.348528 (E_RNA)
where:
Base-Base interactions energy: -427.379
where: short stacking energy: -217.097
Base-Backbone interact. energy: 0.960
local terms energy: -291.929462
where:
bonds (distance) C4'-P energy: -76.556
bonds (distance) P-C4' energy: -87.608
flat angles C4'-P-C4' energy: -76.401
flat angles P-C4'-P energy: -40.006
tors. eta vs tors. theta energy: -11.360
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: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -418.408670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.408670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.408670 (E_RNA)
where:
Base-Base interactions energy: -167.887
where: short stacking energy: -123.108
Base-Backbone interact. energy: -3.464
local terms energy: -247.057531
where:
bonds (distance) C4'-P energy: -77.716
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -52.933
flat angles P-C4'-P energy: -55.334
tors. eta vs tors. theta energy: 0.278
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: 96
Temperature: 0.900000
Total energy: -1673.842385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.842385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.842385 (E_RNA)
where:
Base-Base interactions energy: -1159.520
where: short stacking energy: -503.401
Base-Backbone interact. energy: 1.031
local terms energy: -515.352801
where:
bonds (distance) C4'-P energy: -93.673
bonds (distance) P-C4' energy: -103.908
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -137.079
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: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1550.510037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.510037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.510037 (E_RNA)
where:
Base-Base interactions energy: -1041.213
where: short stacking energy: -442.136
Base-Backbone interact. energy: -2.676
local terms energy: -506.621532
where:
bonds (distance) C4'-P energy: -104.298
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -115.171
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -133.702
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: 96
Temperature: 1.000000
Total energy: -1536.763657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.763657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.763657 (E_RNA)
where:
Base-Base interactions energy: -1062.564
where: short stacking energy: -459.305
Base-Backbone interact. energy: 1.078
local terms energy: -475.277869
where:
bonds (distance) C4'-P energy: -93.085
bonds (distance) P-C4' energy: -94.402
flat angles C4'-P-C4' energy: -110.582
flat angles P-C4'-P energy: -58.102
tors. eta vs tors. theta energy: -119.108
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: 96
Temperature: 1.050000
Total energy: -1399.805038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.805038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.805038 (E_RNA)
where:
Base-Base interactions energy: -968.504
where: short stacking energy: -409.186
Base-Backbone interact. energy: -2.690
local terms energy: -428.611073
where:
bonds (distance) C4'-P energy: -85.134
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -102.073
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -102.799
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1325.098445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.098445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.098445 (E_RNA)
where:
Base-Base interactions energy: -867.172
where: short stacking energy: -368.678
Base-Backbone interact. energy: -1.502
local terms energy: -456.423989
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -89.116
flat angles P-C4'-P energy: -77.198
tors. eta vs tors. theta energy: -113.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1274.202747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.202747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.202747 (E_RNA)
where:
Base-Base interactions energy: -846.813
where: short stacking energy: -400.176
Base-Backbone interact. energy: 1.156
local terms energy: -428.545871
where:
bonds (distance) C4'-P energy: -81.326
bonds (distance) P-C4' energy: -82.994
flat angles C4'-P-C4' energy: -95.247
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -100.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -949.480204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.480204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.480204 (E_RNA)
where:
Base-Base interactions energy: -578.316
where: short stacking energy: -277.024
Base-Backbone interact. energy: 0.863
local terms energy: -372.027913
where:
bonds (distance) C4'-P energy: -83.387
bonds (distance) P-C4' energy: -102.718
flat angles C4'-P-C4' energy: -79.321
flat angles P-C4'-P energy: -46.949
tors. eta vs tors. theta energy: -59.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -866.375546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.375546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.375546 (E_RNA)
where:
Base-Base interactions energy: -507.040
where: short stacking energy: -252.303
Base-Backbone interact. energy: -2.668
local terms energy: -356.668078
where:
bonds (distance) C4'-P energy: -84.218
bonds (distance) P-C4' energy: -87.413
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -60.636
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -680.634464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.634464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.634464 (E_RNA)
where:
Base-Base interactions energy: -370.832
where: short stacking energy: -202.968
Base-Backbone interact. energy: -1.334
local terms energy: -308.468201
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -72.779
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: -30.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -405.202158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.202158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.202158 (E_RNA)
where:
Base-Base interactions energy: -137.841
where: short stacking energy: -116.768
Base-Backbone interact. energy: -2.119
local terms energy: -265.241411
where:
bonds (distance) C4'-P energy: -81.898
bonds (distance) P-C4' energy: -78.306
flat angles C4'-P-C4' energy: -71.284
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: 7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1646.526795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.526795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.526795 (E_RNA)
where:
Base-Base interactions energy: -1142.904
where: short stacking energy: -483.404
Base-Backbone interact. energy: -2.199
local terms energy: -501.423807
where:
bonds (distance) C4'-P energy: -98.705
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -68.577
tors. eta vs tors. theta energy: -124.658
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: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1550.983599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.983599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.983599 (E_RNA)
where:
Base-Base interactions energy: -1040.021
where: short stacking energy: -474.839
Base-Backbone interact. energy: -1.476
local terms energy: -509.487248
where:
bonds (distance) C4'-P energy: -83.104
bonds (distance) P-C4' energy: -104.225
flat angles C4'-P-C4' energy: -107.283
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -140.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1494.881792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.881792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.881792 (E_RNA)
where:
Base-Base interactions energy: -1027.235
where: short stacking energy: -420.897
Base-Backbone interact. energy: 0.819
local terms energy: -468.465583
where:
bonds (distance) C4'-P energy: -102.610
bonds (distance) P-C4' energy: -93.513
flat angles C4'-P-C4' energy: -94.948
flat angles P-C4'-P energy: -63.818
tors. eta vs tors. theta energy: -113.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1448.851062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.851062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.851062 (E_RNA)
where:
Base-Base interactions energy: -985.782
where: short stacking energy: -408.836
Base-Backbone interact. energy: 1.429
local terms energy: -464.497689
where:
bonds (distance) C4'-P energy: -93.038
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -98.619
flat angles P-C4'-P energy: -65.018
tors. eta vs tors. theta energy: -114.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1294.709371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.709371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.709371 (E_RNA)
where:
Base-Base interactions energy: -851.911
where: short stacking energy: -384.733
Base-Backbone interact. energy: 3.040
local terms energy: -445.839072
where:
bonds (distance) C4'-P energy: -90.616
bonds (distance) P-C4' energy: -91.880
flat angles C4'-P-C4' energy: -89.631
flat angles P-C4'-P energy: -64.184
tors. eta vs tors. theta energy: -109.529
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: 97
Temperature: 1.150000
Total energy: -1212.642194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.642194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.642194 (E_RNA)
where:
Base-Base interactions energy: -791.810
where: short stacking energy: -352.825
Base-Backbone interact. energy: -3.309
local terms energy: -417.523072
where:
bonds (distance) C4'-P energy: -74.986
bonds (distance) P-C4' energy: -90.185
flat angles C4'-P-C4' energy: -104.705
flat angles P-C4'-P energy: -69.044
tors. eta vs tors. theta energy: -78.603
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: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1025.798353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.798353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.798353 (E_RNA)
where:
Base-Base interactions energy: -678.789
where: short stacking energy: -308.562
Base-Backbone interact. energy: -1.436
local terms energy: -345.572652
where:
bonds (distance) C4'-P energy: -76.322
bonds (distance) P-C4' energy: -84.067
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -58.575
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: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -907.560062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.560062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.560062 (E_RNA)
where:
Base-Base interactions energy: -564.096
where: short stacking energy: -286.819
Base-Backbone interact. energy: -1.327
local terms energy: -342.136979
where:
bonds (distance) C4'-P energy: -68.142
bonds (distance) P-C4' energy: -95.425
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -46.902
tors. eta vs tors. theta energy: -54.498
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -738.373646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.373646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.373646 (E_RNA)
where:
Base-Base interactions energy: -450.587
where: short stacking energy: -230.076
Base-Backbone interact. energy: -1.060
local terms energy: -286.726594
where:
bonds (distance) C4'-P energy: -75.840
bonds (distance) P-C4' energy: -78.580
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -395.228747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.228747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.228747 (E_RNA)
where:
Base-Base interactions energy: -154.178
where: short stacking energy: -119.136
Base-Backbone interact. energy: 5.810
local terms energy: -246.860395
where:
bonds (distance) C4'-P energy: -84.776
bonds (distance) P-C4' energy: -88.765
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: 20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1597.863614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.863614 (E_RNA)
where:
Base-Base interactions energy: -1084.573
where: short stacking energy: -482.655
Base-Backbone interact. energy: -2.299
local terms energy: -510.991151
where:
bonds (distance) C4'-P energy: -95.924
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -109.037
flat angles P-C4'-P energy: -78.418
tors. eta vs tors. theta energy: -128.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1655.852946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.852946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.852946 (E_RNA)
where:
Base-Base interactions energy: -1139.726
where: short stacking energy: -485.873
Base-Backbone interact. energy: -2.536
local terms energy: -513.591484
where:
bonds (distance) C4'-P energy: -100.407
bonds (distance) P-C4' energy: -88.331
flat angles C4'-P-C4' energy: -115.273
flat angles P-C4'-P energy: -78.364
tors. eta vs tors. theta energy: -131.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1554.642085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.642085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.642085 (E_RNA)
where:
Base-Base interactions energy: -1079.623
where: short stacking energy: -454.189
Base-Backbone interact. energy: -2.519
local terms energy: -472.500332
where:
bonds (distance) C4'-P energy: -90.749
bonds (distance) P-C4' energy: -91.390
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -68.995
tors. eta vs tors. theta energy: -120.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1443.638925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.638925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.638925 (E_RNA)
where:
Base-Base interactions energy: -992.585
where: short stacking energy: -407.567
Base-Backbone interact. energy: -4.122
local terms energy: -446.932141
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -95.977
flat angles P-C4'-P energy: -68.428
tors. eta vs tors. theta energy: -106.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1334.054590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.054590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.054590 (E_RNA)
where:
Base-Base interactions energy: -878.859
where: short stacking energy: -419.605
Base-Backbone interact. energy: -0.050
local terms energy: -455.146068
where:
bonds (distance) C4'-P energy: -92.294
bonds (distance) P-C4' energy: -85.325
flat angles C4'-P-C4' energy: -93.744
flat angles P-C4'-P energy: -74.527
tors. eta vs tors. theta energy: -109.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1170.562535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.562535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.562535 (E_RNA)
where:
Base-Base interactions energy: -782.664
where: short stacking energy: -314.961
Base-Backbone interact. energy: -4.421
local terms energy: -383.477437
where:
bonds (distance) C4'-P energy: -80.872
bonds (distance) P-C4' energy: -92.219
flat angles C4'-P-C4' energy: -73.281
flat angles P-C4'-P energy: -63.561
tors. eta vs tors. theta energy: -73.544
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: 98
Temperature: 1.200000
Total energy: -1012.988489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.988489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.988489 (E_RNA)
where:
Base-Base interactions energy: -649.079
where: short stacking energy: -304.567
Base-Backbone interact. energy: -0.602
local terms energy: -363.307532
where:
bonds (distance) C4'-P energy: -75.628
bonds (distance) P-C4' energy: -92.675
flat angles C4'-P-C4' energy: -90.887
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -64.102
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: 98
Temperature: 1.250000
Total energy: -864.581803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.581803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.581803 (E_RNA)
where:
Base-Base interactions energy: -538.626
where: short stacking energy: -238.207
Base-Backbone interact. energy: -1.030
local terms energy: -324.925161
where:
bonds (distance) C4'-P energy: -71.818
bonds (distance) P-C4' energy: -85.005
flat angles C4'-P-C4' energy: -90.048
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -27.425
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: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -788.372997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.372997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.372997 (E_RNA)
where:
Base-Base interactions energy: -478.638
where: short stacking energy: -218.952
Base-Backbone interact. energy: 0.474
local terms energy: -310.208687
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -74.177
flat angles C4'-P-C4' energy: -94.626
flat angles P-C4'-P energy: -46.864
tors. eta vs tors. theta energy: -30.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -453.930274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.930274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.930274 (E_RNA)
where:
Base-Base interactions energy: -180.944
where: short stacking energy: -104.568
Base-Backbone interact. energy: 5.786
local terms energy: -278.772310
where:
bonds (distance) C4'-P energy: -89.834
bonds (distance) P-C4' energy: -82.996
flat angles C4'-P-C4' energy: -85.851
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: 18.188
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: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1598.284174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.284174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.284174 (E_RNA)
where:
Base-Base interactions energy: -1084.239
where: short stacking energy: -485.138
Base-Backbone interact. energy: -0.039
local terms energy: -514.006258
where:
bonds (distance) C4'-P energy: -98.799
bonds (distance) P-C4' energy: -101.248
flat angles C4'-P-C4' energy: -103.399
flat angles P-C4'-P energy: -73.048
tors. eta vs tors. theta energy: -137.512
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1625.915371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.915371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.915371 (E_RNA)
where:
Base-Base interactions energy: -1134.597
where: short stacking energy: -481.887
Base-Backbone interact. energy: -1.420
local terms energy: -489.898033
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -80.835
flat angles C4'-P-C4' energy: -102.903
flat angles P-C4'-P energy: -74.355
tors. eta vs tors. theta energy: -142.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1560.023798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.023798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.023798 (E_RNA)
where:
Base-Base interactions energy: -1077.749
where: short stacking energy: -458.057
Base-Backbone interact. energy: -3.216
local terms energy: -479.058947
where:
bonds (distance) C4'-P energy: -87.528
bonds (distance) P-C4' energy: -91.416
flat angles C4'-P-C4' energy: -110.847
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -118.969
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: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1454.146769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.146769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.146769 (E_RNA)
where:
Base-Base interactions energy: -1013.870
where: short stacking energy: -425.488
Base-Backbone interact. energy: 0.247
local terms energy: -440.524545
where:
bonds (distance) C4'-P energy: -86.070
bonds (distance) P-C4' energy: -91.028
flat angles C4'-P-C4' energy: -101.995
flat angles P-C4'-P energy: -51.874
tors. eta vs tors. theta energy: -109.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1324.474870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.474870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.474870 (E_RNA)
where:
Base-Base interactions energy: -878.111
where: short stacking energy: -415.584
Base-Backbone interact. energy: -0.249
local terms energy: -446.115606
where:
bonds (distance) C4'-P energy: -88.708
bonds (distance) P-C4' energy: -98.714
flat angles C4'-P-C4' energy: -81.418
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -117.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1165.397665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.397665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.397665 (E_RNA)
where:
Base-Base interactions energy: -761.731
where: short stacking energy: -325.027
Base-Backbone interact. energy: -3.071
local terms energy: -400.596237
where:
bonds (distance) C4'-P energy: -79.791
bonds (distance) P-C4' energy: -78.704
flat angles C4'-P-C4' energy: -94.193
flat angles P-C4'-P energy: -59.090
tors. eta vs tors. theta energy: -88.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -989.395919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.395919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.395919 (E_RNA)
where:
Base-Base interactions energy: -627.546
where: short stacking energy: -312.964
Base-Backbone interact. energy: -0.894
local terms energy: -360.955785
where:
bonds (distance) C4'-P energy: -90.810
bonds (distance) P-C4' energy: -77.394
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -62.707
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: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -890.677982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.677982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.677982 (E_RNA)
where:
Base-Base interactions energy: -531.233
where: short stacking energy: -250.443
Base-Backbone interact. energy: -2.471
local terms energy: -356.974292
where:
bonds (distance) C4'-P energy: -93.405
bonds (distance) P-C4' energy: -71.597
flat angles C4'-P-C4' energy: -83.133
flat angles P-C4'-P energy: -59.997
tors. eta vs tors. theta energy: -48.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -827.756646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.756646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.756646 (E_RNA)
where:
Base-Base interactions energy: -493.454
where: short stacking energy: -234.696
Base-Backbone interact. energy: -0.075
local terms energy: -334.227461
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -94.375
flat angles C4'-P-C4' energy: -84.645
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -427.222575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.222575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.222575 (E_RNA)
where:
Base-Base interactions energy: -187.981
where: short stacking energy: -112.322
Base-Backbone interact. energy: 7.423
local terms energy: -246.664767
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -81.375
flat angles C4'-P-C4' energy: -64.965
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: 26.004
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: 100
Temperature: 0.900000
Total energy: -1658.692723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.692723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.692723 (E_RNA)
where:
Base-Base interactions energy: -1156.392
where: short stacking energy: -487.711
Base-Backbone interact. energy: -2.381
local terms energy: -499.919837
where:
bonds (distance) C4'-P energy: -91.267
bonds (distance) P-C4' energy: -91.727
flat angles C4'-P-C4' energy: -114.684
flat angles P-C4'-P energy: -68.452
tors. eta vs tors. theta energy: -133.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1597.584381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.584381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.584381 (E_RNA)
where:
Base-Base interactions energy: -1085.751
where: short stacking energy: -483.842
Base-Backbone interact. energy: -3.610
local terms energy: -508.222655
where:
bonds (distance) C4'-P energy: -106.872
bonds (distance) P-C4' energy: -87.821
flat angles C4'-P-C4' energy: -102.006
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -141.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1541.000608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.000608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.000608 (E_RNA)
where:
Base-Base interactions energy: -1059.445
where: short stacking energy: -448.048
Base-Backbone interact. energy: -0.311
local terms energy: -481.244860
where:
bonds (distance) C4'-P energy: -100.008
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -97.707
flat angles P-C4'-P energy: -78.229
tors. eta vs tors. theta energy: -116.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1461.472372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.472372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.472372 (E_RNA)
where:
Base-Base interactions energy: -987.807
where: short stacking energy: -408.616
Base-Backbone interact. energy: -1.366
local terms energy: -472.299709
where:
bonds (distance) C4'-P energy: -79.961
bonds (distance) P-C4' energy: -103.076
flat angles C4'-P-C4' energy: -106.286
flat angles P-C4'-P energy: -69.727
tors. eta vs tors. theta energy: -113.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1339.628722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.628722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.628722 (E_RNA)
where:
Base-Base interactions energy: -878.686
where: short stacking energy: -399.139
Base-Backbone interact. energy: -1.146
local terms energy: -459.796547
where:
bonds (distance) C4'-P energy: -101.722
bonds (distance) P-C4' energy: -88.946
flat angles C4'-P-C4' energy: -99.010
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: -107.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1150.749399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.749399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.749399 (E_RNA)
where:
Base-Base interactions energy: -728.728
where: short stacking energy: -313.930
Base-Backbone interact. energy: -0.329
local terms energy: -421.692692
where:
bonds (distance) C4'-P energy: -97.834
bonds (distance) P-C4' energy: -86.886
flat angles C4'-P-C4' energy: -99.234
flat angles P-C4'-P energy: -62.834
tors. eta vs tors. theta energy: -74.904
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -982.866524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.866524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.866524 (E_RNA)
where:
Base-Base interactions energy: -613.481
where: short stacking energy: -287.307
Base-Backbone interact. energy: -1.827
local terms energy: -367.558249
where:
bonds (distance) C4'-P energy: -80.303
bonds (distance) P-C4' energy: -88.774
flat angles C4'-P-C4' energy: -88.259
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -62.953
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -871.818672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.818672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.818672 (E_RNA)
where:
Base-Base interactions energy: -538.758
where: short stacking energy: -246.985
Base-Backbone interact. energy: 0.455
local terms energy: -333.515294
where:
bonds (distance) C4'-P energy: -79.753
bonds (distance) P-C4' energy: -88.640
flat angles C4'-P-C4' energy: -77.368
flat angles P-C4'-P energy: -46.745
tors. eta vs tors. theta energy: -41.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -774.805347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.805347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.805347 (E_RNA)
where:
Base-Base interactions energy: -455.624
where: short stacking energy: -221.292
Base-Backbone interact. energy: 1.278
local terms energy: -320.458793
where:
bonds (distance) C4'-P energy: -72.260
bonds (distance) P-C4' energy: -90.641
flat angles C4'-P-C4' energy: -82.048
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -26.057
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: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -453.153877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.153877 (E_RNA)
where:
Base-Base interactions energy: -182.146
where: short stacking energy: -111.341
Base-Backbone interact. energy: -0.758
local terms energy: -270.249164
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -86.381
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: 13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1679.283683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.283683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.283683 (E_RNA)
where:
Base-Base interactions energy: -1154.569
where: short stacking energy: -502.100
Base-Backbone interact. energy: -1.788
local terms energy: -522.927281
where:
bonds (distance) C4'-P energy: -96.945
bonds (distance) P-C4' energy: -108.716
flat angles C4'-P-C4' energy: -112.384
flat angles P-C4'-P energy: -76.241
tors. eta vs tors. theta energy: -128.642
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: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1573.105948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.105948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.105948 (E_RNA)
where:
Base-Base interactions energy: -1089.078
where: short stacking energy: -467.660
Base-Backbone interact. energy: -2.317
local terms energy: -481.710405
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -93.744
flat angles C4'-P-C4' energy: -97.234
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -129.511
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: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1549.417331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.417331 (E_RNA)
where:
Base-Base interactions energy: -1082.665
where: short stacking energy: -445.713
Base-Backbone interact. energy: 0.019
local terms energy: -466.771189
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -91.442
flat angles C4'-P-C4' energy: -96.374
flat angles P-C4'-P energy: -56.569
tors. eta vs tors. theta energy: -129.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1438.576980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.576980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.576980 (E_RNA)
where:
Base-Base interactions energy: -989.859
where: short stacking energy: -436.496
Base-Backbone interact. energy: -1.287
local terms energy: -447.431217
where:
bonds (distance) C4'-P energy: -91.771
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -94.656
flat angles P-C4'-P energy: -62.680
tors. eta vs tors. theta energy: -110.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1317.284477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.284477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.284477 (E_RNA)
where:
Base-Base interactions energy: -863.368
where: short stacking energy: -401.986
Base-Backbone interact. energy: -0.767
local terms energy: -453.149442
where:
bonds (distance) C4'-P energy: -85.253
bonds (distance) P-C4' energy: -98.107
flat angles C4'-P-C4' energy: -91.380
flat angles P-C4'-P energy: -71.077
tors. eta vs tors. theta energy: -107.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1144.397630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.397630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.397630 (E_RNA)
where:
Base-Base interactions energy: -730.370
where: short stacking energy: -338.956
Base-Backbone interact. energy: -1.174
local terms energy: -412.853315
where:
bonds (distance) C4'-P energy: -83.380
bonds (distance) P-C4' energy: -84.146
flat angles C4'-P-C4' energy: -93.464
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -83.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -999.165374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.165374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.165374 (E_RNA)
where:
Base-Base interactions energy: -632.081
where: short stacking energy: -291.905
Base-Backbone interact. energy: 4.337
local terms energy: -371.421136
where:
bonds (distance) C4'-P energy: -75.939
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -89.458
flat angles P-C4'-P energy: -57.679
tors. eta vs tors. theta energy: -55.000
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: 101
Temperature: 1.250000
Total energy: -879.594295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.594295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.594295 (E_RNA)
where:
Base-Base interactions energy: -533.294
where: short stacking energy: -258.007
Base-Backbone interact. energy: 2.596
local terms energy: -348.896294
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -90.586
flat angles C4'-P-C4' energy: -85.575
flat angles P-C4'-P energy: -51.426
tors. eta vs tors. theta energy: -44.471
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: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -770.939619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.939619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.939619 (E_RNA)
where:
Base-Base interactions energy: -471.667
where: short stacking energy: -225.151
Base-Backbone interact. energy: -2.115
local terms energy: -297.158310
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -74.265
flat angles C4'-P-C4' energy: -70.582
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -38.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -444.876311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.876311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.876311 (E_RNA)
where:
Base-Base interactions energy: -185.578
where: short stacking energy: -133.523
Base-Backbone interact. energy: -2.406
local terms energy: -256.892277
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -77.306
flat angles C4'-P-C4' energy: -64.176
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: 2.867
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1698.548373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.548373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.548373 (E_RNA)
where:
Base-Base interactions energy: -1165.115
where: short stacking energy: -511.018
Base-Backbone interact. energy: -2.670
local terms energy: -530.763350
where:
bonds (distance) C4'-P energy: -99.252
bonds (distance) P-C4' energy: -99.851
flat angles C4'-P-C4' energy: -112.803
flat angles P-C4'-P energy: -73.808
tors. eta vs tors. theta energy: -145.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1552.074457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.074457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.074457 (E_RNA)
where:
Base-Base interactions energy: -1056.068
where: short stacking energy: -450.040
Base-Backbone interact. energy: -2.951
local terms energy: -493.055659
where:
bonds (distance) C4'-P energy: -97.963
bonds (distance) P-C4' energy: -89.223
flat angles C4'-P-C4' energy: -112.162
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -119.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1566.099660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.099660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.099660 (E_RNA)
where:
Base-Base interactions energy: -1075.398
where: short stacking energy: -452.439
Base-Backbone interact. energy: -5.011
local terms energy: -485.690402
where:
bonds (distance) C4'-P energy: -96.622
bonds (distance) P-C4' energy: -84.697
flat angles C4'-P-C4' energy: -111.513
flat angles P-C4'-P energy: -62.698
tors. eta vs tors. theta energy: -130.161
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: 102
Temperature: 1.050000
Total energy: -1473.312518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.312518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.312518 (E_RNA)
where:
Base-Base interactions energy: -1022.922
where: short stacking energy: -465.164
Base-Backbone interact. energy: 2.972
local terms energy: -453.362740
where:
bonds (distance) C4'-P energy: -94.527
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -100.250
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -111.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1284.868032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.868032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.868032 (E_RNA)
where:
Base-Base interactions energy: -841.507
where: short stacking energy: -380.588
Base-Backbone interact. energy: -2.184
local terms energy: -441.177809
where:
bonds (distance) C4'-P energy: -84.145
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -96.288
flat angles P-C4'-P energy: -64.302
tors. eta vs tors. theta energy: -106.981
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: 102
Temperature: 1.150000
Total energy: -1166.829641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.829641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.829641 (E_RNA)
where:
Base-Base interactions energy: -769.910
where: short stacking energy: -333.197
Base-Backbone interact. energy: -1.439
local terms energy: -395.480443
where:
bonds (distance) C4'-P energy: -81.391
bonds (distance) P-C4' energy: -76.440
flat angles C4'-P-C4' energy: -106.698
flat angles P-C4'-P energy: -58.857
tors. eta vs tors. theta energy: -72.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -941.840001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.840001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.840001 (E_RNA)
where:
Base-Base interactions energy: -590.395
where: short stacking energy: -277.615
Base-Backbone interact. energy: 0.027
local terms energy: -351.471717
where:
bonds (distance) C4'-P energy: -68.905
bonds (distance) P-C4' energy: -84.241
flat angles C4'-P-C4' energy: -93.117
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -50.086
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: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -786.767419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.767419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.767419 (E_RNA)
where:
Base-Base interactions energy: -462.450
where: short stacking energy: -234.059
Base-Backbone interact. energy: 2.009
local terms energy: -326.326241
where:
bonds (distance) C4'-P energy: -85.868
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -75.401
flat angles P-C4'-P energy: -49.533
tors. eta vs tors. theta energy: -45.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -811.907259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.907259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.907259 (E_RNA)
where:
Base-Base interactions energy: -514.801
where: short stacking energy: -250.907
Base-Backbone interact. energy: -2.282
local terms energy: -294.824244
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -78.387
flat angles C4'-P-C4' energy: -70.316
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -41.187
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: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -439.230109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.230109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.230109 (E_RNA)
where:
Base-Base interactions energy: -168.046
where: short stacking energy: -142.409
Base-Backbone interact. energy: -1.039
local terms energy: -270.145547
where:
bonds (distance) C4'-P energy: -87.523
bonds (distance) P-C4' energy: -77.411
flat angles C4'-P-C4' energy: -68.627
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: 5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1675.504595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.504595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.504595 (E_RNA)
where:
Base-Base interactions energy: -1129.276
where: short stacking energy: -493.695
Base-Backbone interact. energy: -2.608
local terms energy: -543.619910
where:
bonds (distance) C4'-P energy: -103.405
bonds (distance) P-C4' energy: -107.509
flat angles C4'-P-C4' energy: -116.893
flat angles P-C4'-P energy: -71.217
tors. eta vs tors. theta energy: -144.596
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: 103
Temperature: 0.950000
Total energy: -1563.471304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.471304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.471304 (E_RNA)
where:
Base-Base interactions energy: -1088.128
where: short stacking energy: -445.421
Base-Backbone interact. energy: 0.331
local terms energy: -475.674149
where:
bonds (distance) C4'-P energy: -94.971
bonds (distance) P-C4' energy: -92.768
flat angles C4'-P-C4' energy: -104.580
flat angles P-C4'-P energy: -60.704
tors. eta vs tors. theta energy: -122.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1513.620441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.620441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.620441 (E_RNA)
where:
Base-Base interactions energy: -1034.518
where: short stacking energy: -441.715
Base-Backbone interact. energy: -0.951
local terms energy: -478.152133
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -100.446
flat angles C4'-P-C4' energy: -96.234
flat angles P-C4'-P energy: -64.112
tors. eta vs tors. theta energy: -122.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1448.142278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.142278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.142278 (E_RNA)
where:
Base-Base interactions energy: -985.329
where: short stacking energy: -415.958
Base-Backbone interact. energy: -0.072
local terms energy: -462.741232
where:
bonds (distance) C4'-P energy: -100.939
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -72.609
tors. eta vs tors. theta energy: -95.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1305.369820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.369820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.369820 (E_RNA)
where:
Base-Base interactions energy: -828.166
where: short stacking energy: -387.103
Base-Backbone interact. energy: -2.986
local terms energy: -474.217413
where:
bonds (distance) C4'-P energy: -88.900
bonds (distance) P-C4' energy: -95.220
flat angles C4'-P-C4' energy: -106.807
flat angles P-C4'-P energy: -74.498
tors. eta vs tors. theta energy: -108.792
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: 103
Temperature: 1.150000
Total energy: -1186.931679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.931679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.931679 (E_RNA)
where:
Base-Base interactions energy: -793.039
where: short stacking energy: -336.351
Base-Backbone interact. energy: 4.067
local terms energy: -397.959692
where:
bonds (distance) C4'-P energy: -87.102
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -93.613
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -69.070
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -988.362071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.362071 (E_RNA)
where:
Base-Base interactions energy: -618.924
where: short stacking energy: -292.746
Base-Backbone interact. energy: 2.665
local terms energy: -372.103217
where:
bonds (distance) C4'-P energy: -84.354
bonds (distance) P-C4' energy: -87.314
flat angles C4'-P-C4' energy: -91.137
flat angles P-C4'-P energy: -45.176
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -828.431634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.431634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.431634 (E_RNA)
where:
Base-Base interactions energy: -483.326
where: short stacking energy: -239.410
Base-Backbone interact. energy: -2.430
local terms energy: -342.675470
where:
bonds (distance) C4'-P energy: -78.045
bonds (distance) P-C4' energy: -93.933
flat angles C4'-P-C4' energy: -80.681
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -38.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -669.513806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.513806 (E_RNA)
where:
Base-Base interactions energy: -373.487
where: short stacking energy: -195.224
Base-Backbone interact. energy: 2.027
local terms energy: -298.053637
where:
bonds (distance) C4'-P energy: -86.341
bonds (distance) P-C4' energy: -78.619
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -13.664
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -451.417755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.417755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.417755 (E_RNA)
where:
Base-Base interactions energy: -173.080
where: short stacking energy: -142.149
Base-Backbone interact. energy: -0.599
local terms energy: -277.738632
where:
bonds (distance) C4'-P energy: -84.141
bonds (distance) P-C4' energy: -81.130
flat angles C4'-P-C4' energy: -68.756
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: 4.297
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: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1666.977837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.977837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.977837 (E_RNA)
where:
Base-Base interactions energy: -1144.949
where: short stacking energy: -480.602
Base-Backbone interact. energy: -1.340
local terms energy: -520.688791
where:
bonds (distance) C4'-P energy: -100.546
bonds (distance) P-C4' energy: -100.813
flat angles C4'-P-C4' energy: -117.937
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -126.156
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: 104
Temperature: 0.950000
Total energy: -1559.734177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.734177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.734177 (E_RNA)
where:
Base-Base interactions energy: -1057.795
where: short stacking energy: -440.576
Base-Backbone interact. energy: -4.232
local terms energy: -497.707387
where:
bonds (distance) C4'-P energy: -89.473
bonds (distance) P-C4' energy: -101.287
flat angles C4'-P-C4' energy: -103.272
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -128.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1521.724756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.724756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.724756 (E_RNA)
where:
Base-Base interactions energy: -1030.220
where: short stacking energy: -451.191
Base-Backbone interact. energy: -1.359
local terms energy: -490.145820
where:
bonds (distance) C4'-P energy: -98.215
bonds (distance) P-C4' energy: -87.745
flat angles C4'-P-C4' energy: -104.592
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -129.588
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: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1476.756882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.756882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.756882 (E_RNA)
where:
Base-Base interactions energy: -1026.611
where: short stacking energy: -441.501
Base-Backbone interact. energy: -0.595
local terms energy: -449.551014
where:
bonds (distance) C4'-P energy: -83.153
bonds (distance) P-C4' energy: -89.544
flat angles C4'-P-C4' energy: -113.345
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -110.841
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1315.076547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.076547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.076547 (E_RNA)
where:
Base-Base interactions energy: -869.203
where: short stacking energy: -414.626
Base-Backbone interact. energy: -0.961
local terms energy: -444.912541
where:
bonds (distance) C4'-P energy: -82.568
bonds (distance) P-C4' energy: -94.828
flat angles C4'-P-C4' energy: -97.922
flat angles P-C4'-P energy: -55.384
tors. eta vs tors. theta energy: -114.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1175.259581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.259581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.259581 (E_RNA)
where:
Base-Base interactions energy: -774.499
where: short stacking energy: -357.478
Base-Backbone interact. energy: -0.918
local terms energy: -399.842719
where:
bonds (distance) C4'-P energy: -80.312
bonds (distance) P-C4' energy: -85.394
flat angles C4'-P-C4' energy: -80.175
flat angles P-C4'-P energy: -62.180
tors. eta vs tors. theta energy: -91.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -918.753918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.753918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.753918 (E_RNA)
where:
Base-Base interactions energy: -547.995
where: short stacking energy: -281.699
Base-Backbone interact. energy: -0.304
local terms energy: -370.454456
where:
bonds (distance) C4'-P energy: -78.572
bonds (distance) P-C4' energy: -94.515
flat angles C4'-P-C4' energy: -90.772
flat angles P-C4'-P energy: -44.463
tors. eta vs tors. theta energy: -62.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -869.034518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.034518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.034518 (E_RNA)
where:
Base-Base interactions energy: -540.263
where: short stacking energy: -237.577
Base-Backbone interact. energy: -0.137
local terms energy: -328.635301
where:
bonds (distance) C4'-P energy: -80.284
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -85.601
flat angles P-C4'-P energy: -58.237
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -659.413426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.413426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.413426 (E_RNA)
where:
Base-Base interactions energy: -357.814
where: short stacking energy: -200.189
Base-Backbone interact. energy: -2.563
local terms energy: -299.036603
where:
bonds (distance) C4'-P energy: -75.152
bonds (distance) P-C4' energy: -101.648
flat angles C4'-P-C4' energy: -54.348
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -452.906316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.906316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.906316 (E_RNA)
where:
Base-Base interactions energy: -183.533
where: short stacking energy: -140.476
Base-Backbone interact. energy: 1.875
local terms energy: -271.247601
where:
bonds (distance) C4'-P energy: -78.933
bonds (distance) P-C4' energy: -86.210
flat angles C4'-P-C4' energy: -66.157
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1658.837255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.837255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.837255 (E_RNA)
where:
Base-Base interactions energy: -1155.843
where: short stacking energy: -490.427
Base-Backbone interact. energy: -2.879
local terms energy: -500.115176
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -91.525
flat angles C4'-P-C4' energy: -109.038
flat angles P-C4'-P energy: -69.570
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: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1533.266169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.266169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.266169 (E_RNA)
where:
Base-Base interactions energy: -1062.401
where: short stacking energy: -437.846
Base-Backbone interact. energy: -1.764
local terms energy: -469.100845
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -91.398
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -64.200
tors. eta vs tors. theta energy: -120.114
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: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1514.795515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.795515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.795515 (E_RNA)
where:
Base-Base interactions energy: -1064.413
where: short stacking energy: -466.215
Base-Backbone interact. energy: 3.185
local terms energy: -453.567298
where:
bonds (distance) C4'-P energy: -77.330
bonds (distance) P-C4' energy: -91.339
flat angles C4'-P-C4' energy: -102.985
flat angles P-C4'-P energy: -66.314
tors. eta vs tors. theta energy: -115.599
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: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1456.490371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.490371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.490371 (E_RNA)
where:
Base-Base interactions energy: -1000.904
where: short stacking energy: -416.980
Base-Backbone interact. energy: -3.579
local terms energy: -452.006888
where:
bonds (distance) C4'-P energy: -93.206
bonds (distance) P-C4' energy: -80.939
flat angles C4'-P-C4' energy: -105.943
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -104.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1340.913698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.913698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.913698 (E_RNA)
where:
Base-Base interactions energy: -894.055
where: short stacking energy: -421.472
Base-Backbone interact. energy: -1.301
local terms energy: -445.557697
where:
bonds (distance) C4'-P energy: -92.836
bonds (distance) P-C4' energy: -77.921
flat angles C4'-P-C4' energy: -85.695
flat angles P-C4'-P energy: -68.621
tors. eta vs tors. theta energy: -120.485
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: 105
Temperature: 1.150000
Total energy: -1149.396513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.396513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.396513 (E_RNA)
where:
Base-Base interactions energy: -744.960
where: short stacking energy: -339.879
Base-Backbone interact. energy: 1.735
local terms energy: -406.170903
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -94.112
flat angles C4'-P-C4' energy: -102.480
flat angles P-C4'-P energy: -59.204
tors. eta vs tors. theta energy: -70.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -913.233017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.233017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.233017 (E_RNA)
where:
Base-Base interactions energy: -546.063
where: short stacking energy: -264.292
Base-Backbone interact. energy: -1.047
local terms energy: -366.122407
where:
bonds (distance) C4'-P energy: -92.680
bonds (distance) P-C4' energy: -89.855
flat angles C4'-P-C4' energy: -86.046
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: -41.322
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: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -850.648778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.648778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.648778 (E_RNA)
where:
Base-Base interactions energy: -509.241
where: short stacking energy: -238.439
Base-Backbone interact. energy: 0.109
local terms energy: -341.517302
where:
bonds (distance) C4'-P energy: -88.210
bonds (distance) P-C4' energy: -81.623
flat angles C4'-P-C4' energy: -86.595
flat angles P-C4'-P energy: -48.688
tors. eta vs tors. theta energy: -36.401
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: 105
Temperature: 1.300000
Total energy: -640.487982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.487982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.487982 (E_RNA)
where:
Base-Base interactions energy: -348.348
where: short stacking energy: -188.695
Base-Backbone interact. energy: 4.777
local terms energy: -296.917594
where:
bonds (distance) C4'-P energy: -78.002
bonds (distance) P-C4' energy: -81.511
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -28.189
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: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -377.689382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.689382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.689382 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -77.292
Base-Backbone interact. energy: 7.738
local terms energy: -252.327729
where:
bonds (distance) C4'-P energy: -92.684
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: 26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1672.613269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.613269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.613269 (E_RNA)
where:
Base-Base interactions energy: -1143.417
where: short stacking energy: -496.079
Base-Backbone interact. energy: -1.629
local terms energy: -527.567216
where:
bonds (distance) C4'-P energy: -101.360
bonds (distance) P-C4' energy: -99.867
flat angles C4'-P-C4' energy: -119.691
flat angles P-C4'-P energy: -70.175
tors. eta vs tors. theta energy: -136.475
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: 106
Temperature: 0.950000
Total energy: -1590.594078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.594078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.594078 (E_RNA)
where:
Base-Base interactions energy: -1104.543
where: short stacking energy: -461.233
Base-Backbone interact. energy: -2.458
local terms energy: -483.593349
where:
bonds (distance) C4'-P energy: -97.162
bonds (distance) P-C4' energy: -92.099
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -67.942
tors. eta vs tors. theta energy: -126.270
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: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1501.787678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.787678 (E_RNA)
where:
Base-Base interactions energy: -1032.682
where: short stacking energy: -443.502
Base-Backbone interact. energy: 1.458
local terms energy: -470.563735
where:
bonds (distance) C4'-P energy: -101.655
bonds (distance) P-C4' energy: -92.690
flat angles C4'-P-C4' energy: -97.326
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -116.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1438.878246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.878246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.878246 (E_RNA)
where:
Base-Base interactions energy: -978.992
where: short stacking energy: -413.581
Base-Backbone interact. energy: -1.457
local terms energy: -458.428431
where:
bonds (distance) C4'-P energy: -97.304
bonds (distance) P-C4' energy: -82.351
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -67.471
tors. eta vs tors. theta energy: -103.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1237.836309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.836309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.836309 (E_RNA)
where:
Base-Base interactions energy: -832.373
where: short stacking energy: -386.663
Base-Backbone interact. energy: 3.774
local terms energy: -409.236733
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -91.396
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -56.948
tors. eta vs tors. theta energy: -92.122
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: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1126.909431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.909431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.909431 (E_RNA)
where:
Base-Base interactions energy: -749.397
where: short stacking energy: -314.970
Base-Backbone interact. energy: -3.464
local terms energy: -374.048762
where:
bonds (distance) C4'-P energy: -75.861
bonds (distance) P-C4' energy: -84.487
flat angles C4'-P-C4' energy: -90.020
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: -74.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -956.691234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.691234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.691234 (E_RNA)
where:
Base-Base interactions energy: -606.792
where: short stacking energy: -292.964
Base-Backbone interact. energy: -1.690
local terms energy: -348.209028
where:
bonds (distance) C4'-P energy: -81.955
bonds (distance) P-C4' energy: -78.627
flat angles C4'-P-C4' energy: -82.474
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -53.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -866.604519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.604519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.604519 (E_RNA)
where:
Base-Base interactions energy: -503.452
where: short stacking energy: -232.652
Base-Backbone interact. energy: -1.166
local terms energy: -361.986053
where:
bonds (distance) C4'-P energy: -85.524
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -89.383
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -47.921
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: 106
Temperature: 1.300000
Total energy: -680.486746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.486746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.486746 (E_RNA)
where:
Base-Base interactions energy: -380.652
where: short stacking energy: -207.530
Base-Backbone interact. energy: -0.506
local terms energy: -299.328530
where:
bonds (distance) C4'-P energy: -67.006
bonds (distance) P-C4' energy: -82.316
flat angles C4'-P-C4' energy: -84.136
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -422.472333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.472333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.472333 (E_RNA)
where:
Base-Base interactions energy: -153.489
where: short stacking energy: -110.384
Base-Backbone interact. energy: 2.784
local terms energy: -271.766846
where:
bonds (distance) C4'-P energy: -80.594
bonds (distance) P-C4' energy: -77.806
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: 15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1658.714100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.714100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.714100 (E_RNA)
where:
Base-Base interactions energy: -1112.333
where: short stacking energy: -494.600
Base-Backbone interact. energy: -2.016
local terms energy: -544.364474
where:
bonds (distance) C4'-P energy: -104.940
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -69.644
tors. eta vs tors. theta energy: -144.087
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: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1630.631264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.631264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.631264 (E_RNA)
where:
Base-Base interactions energy: -1132.842
where: short stacking energy: -469.247
Base-Backbone interact. energy: -0.430
local terms energy: -497.359521
where:
bonds (distance) C4'-P energy: -79.012
bonds (distance) P-C4' energy: -110.617
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -68.808
tors. eta vs tors. theta energy: -129.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1553.668771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.668771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.668771 (E_RNA)
where:
Base-Base interactions energy: -1062.379
where: short stacking energy: -455.685
Base-Backbone interact. energy: -3.999
local terms energy: -487.291273
where:
bonds (distance) C4'-P energy: -94.751
bonds (distance) P-C4' energy: -90.944
flat angles C4'-P-C4' energy: -99.420
flat angles P-C4'-P energy: -75.129
tors. eta vs tors. theta energy: -127.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1471.455592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.455592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.455592 (E_RNA)
where:
Base-Base interactions energy: -1019.182
where: short stacking energy: -443.477
Base-Backbone interact. energy: 0.017
local terms energy: -452.290403
where:
bonds (distance) C4'-P energy: -85.993
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -94.566
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -115.722
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1265.206738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.206738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.206738 (E_RNA)
where:
Base-Base interactions energy: -837.814
where: short stacking energy: -377.671
Base-Backbone interact. energy: -1.723
local terms energy: -425.668871
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -82.278
flat angles C4'-P-C4' energy: -93.976
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -97.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1148.324923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.324923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.324923 (E_RNA)
where:
Base-Base interactions energy: -751.472
where: short stacking energy: -309.247
Base-Backbone interact. energy: 0.653
local terms energy: -397.505690
where:
bonds (distance) C4'-P energy: -89.175
bonds (distance) P-C4' energy: -88.162
flat angles C4'-P-C4' energy: -88.115
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -68.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -999.335387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.335387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.335387 (E_RNA)
where:
Base-Base interactions energy: -641.655
where: short stacking energy: -292.567
Base-Backbone interact. energy: -1.285
local terms energy: -356.395519
where:
bonds (distance) C4'-P energy: -62.709
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -90.073
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -57.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -848.088643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.088643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.088643 (E_RNA)
where:
Base-Base interactions energy: -522.984
where: short stacking energy: -260.698
Base-Backbone interact. energy: 6.217
local terms energy: -331.321515
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -88.811
flat angles C4'-P-C4' energy: -82.099
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -36.205
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: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -693.011535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.011535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.011535 (E_RNA)
where:
Base-Base interactions energy: -372.021
where: short stacking energy: -210.038
Base-Backbone interact. energy: 0.300
local terms energy: -321.290534
where:
bonds (distance) C4'-P energy: -72.160
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -88.929
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -438.042972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.042972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.042972 (E_RNA)
where:
Base-Base interactions energy: -190.476
where: short stacking energy: -112.837
Base-Backbone interact. energy: 1.631
local terms energy: -249.197826
where:
bonds (distance) C4'-P energy: -83.315
bonds (distance) P-C4' energy: -91.025
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: 19.686
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: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1645.989376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.989376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.989376 (E_RNA)
where:
Base-Base interactions energy: -1125.251
where: short stacking energy: -502.006
Base-Backbone interact. energy: -1.953
local terms energy: -518.785384
where:
bonds (distance) C4'-P energy: -88.592
bonds (distance) P-C4' energy: -109.357
flat angles C4'-P-C4' energy: -114.655
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -142.641
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: 108
Temperature: 0.950000
Total energy: -1614.906124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.906124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.906124 (E_RNA)
where:
Base-Base interactions energy: -1119.106
where: short stacking energy: -472.338
Base-Backbone interact. energy: -1.734
local terms energy: -494.066469
where:
bonds (distance) C4'-P energy: -95.569
bonds (distance) P-C4' energy: -87.785
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -60.732
tors. eta vs tors. theta energy: -137.915
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: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1528.021621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.021621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.021621 (E_RNA)
where:
Base-Base interactions energy: -1010.965
where: short stacking energy: -472.785
Base-Backbone interact. energy: -2.111
local terms energy: -514.945037
where:
bonds (distance) C4'-P energy: -99.181
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -66.875
tors. eta vs tors. theta energy: -135.485
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: 108
Temperature: 1.050000
Total energy: -1470.311151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.311151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.311151 (E_RNA)
where:
Base-Base interactions energy: -1023.549
where: short stacking energy: -440.546
Base-Backbone interact. energy: 0.412
local terms energy: -447.173573
where:
bonds (distance) C4'-P energy: -84.745
bonds (distance) P-C4' energy: -93.838
flat angles C4'-P-C4' energy: -101.458
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -102.320
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1333.477302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.477302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.477302 (E_RNA)
where:
Base-Base interactions energy: -919.500
where: short stacking energy: -395.189
Base-Backbone interact. energy: -0.431
local terms energy: -413.545798
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -82.343
flat angles C4'-P-C4' energy: -88.408
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -104.794
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: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1160.739269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.739269 (E_RNA)
where:
Base-Base interactions energy: -761.052
where: short stacking energy: -329.501
Base-Backbone interact. energy: 1.525
local terms energy: -401.212635
where:
bonds (distance) C4'-P energy: -90.971
bonds (distance) P-C4' energy: -91.671
flat angles C4'-P-C4' energy: -94.704
flat angles P-C4'-P energy: -58.151
tors. eta vs tors. theta energy: -65.716
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: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1022.138915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.138915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.138915 (E_RNA)
where:
Base-Base interactions energy: -643.026
where: short stacking energy: -304.752
Base-Backbone interact. energy: -2.624
local terms energy: -376.489459
where:
bonds (distance) C4'-P energy: -78.278
bonds (distance) P-C4' energy: -97.006
flat angles C4'-P-C4' energy: -75.276
flat angles P-C4'-P energy: -64.976
tors. eta vs tors. theta energy: -60.954
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: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -853.495913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.495913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.495913 (E_RNA)
where:
Base-Base interactions energy: -526.146
where: short stacking energy: -232.925
Base-Backbone interact. energy: -0.299
local terms energy: -327.051420
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -89.601
flat angles C4'-P-C4' energy: -83.979
flat angles P-C4'-P energy: -51.224
tors. eta vs tors. theta energy: -25.121
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -648.060147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.060147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.060147 (E_RNA)
where:
Base-Base interactions energy: -351.169
where: short stacking energy: -178.947
Base-Backbone interact. energy: -0.728
local terms energy: -296.163311
where:
bonds (distance) C4'-P energy: -76.822
bonds (distance) P-C4' energy: -96.074
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -14.486
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: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -411.501970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.501970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.501970 (E_RNA)
where:
Base-Base interactions energy: -152.762
where: short stacking energy: -104.309
Base-Backbone interact. energy: 1.975
local terms energy: -260.715162
where:
bonds (distance) C4'-P energy: -69.782
bonds (distance) P-C4' energy: -95.898
flat angles C4'-P-C4' energy: -67.016
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: 11.925
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1688.395576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.395576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.395576 (E_RNA)
where:
Base-Base interactions energy: -1151.558
where: short stacking energy: -496.134
Base-Backbone interact. energy: -1.905
local terms energy: -534.932845
where:
bonds (distance) C4'-P energy: -103.628
bonds (distance) P-C4' energy: -97.276
flat angles C4'-P-C4' energy: -118.960
flat angles P-C4'-P energy: -74.503
tors. eta vs tors. theta energy: -140.566
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: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1596.868928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.868928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.868928 (E_RNA)
where:
Base-Base interactions energy: -1121.276
where: short stacking energy: -452.398
Base-Backbone interact. energy: -0.752
local terms energy: -474.841308
where:
bonds (distance) C4'-P energy: -85.750
bonds (distance) P-C4' energy: -102.503
flat angles C4'-P-C4' energy: -106.892
flat angles P-C4'-P energy: -62.092
tors. eta vs tors. theta energy: -117.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1504.753978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.753978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.753978 (E_RNA)
where:
Base-Base interactions energy: -1020.297
where: short stacking energy: -448.992
Base-Backbone interact. energy: -2.698
local terms energy: -481.758416
where:
bonds (distance) C4'-P energy: -99.896
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -111.899
flat angles P-C4'-P energy: -65.638
tors. eta vs tors. theta energy: -111.437
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: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1448.776839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.776839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.776839 (E_RNA)
where:
Base-Base interactions energy: -1014.753
where: short stacking energy: -421.132
Base-Backbone interact. energy: -1.324
local terms energy: -432.700173
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -87.207
flat angles C4'-P-C4' energy: -91.335
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -105.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1322.089242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.089242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.089242 (E_RNA)
where:
Base-Base interactions energy: -884.183
where: short stacking energy: -414.520
Base-Backbone interact. energy: -1.577
local terms energy: -436.329810
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -100.507
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -112.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1105.431861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.431861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.431861 (E_RNA)
where:
Base-Base interactions energy: -754.253
where: short stacking energy: -326.716
Base-Backbone interact. energy: -0.070
local terms energy: -351.108397
where:
bonds (distance) C4'-P energy: -71.216
bonds (distance) P-C4' energy: -82.359
flat angles C4'-P-C4' energy: -89.014
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -64.295
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1067.758434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.758434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.758434 (E_RNA)
where:
Base-Base interactions energy: -690.815
where: short stacking energy: -316.628
Base-Backbone interact. energy: -3.381
local terms energy: -373.562004
where:
bonds (distance) C4'-P energy: -66.160
bonds (distance) P-C4' energy: -88.975
flat angles C4'-P-C4' energy: -86.391
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -81.514
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: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -855.803781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.803781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.803781 (E_RNA)
where:
Base-Base interactions energy: -542.035
where: short stacking energy: -278.484
Base-Backbone interact. energy: 1.070
local terms energy: -314.838608
where:
bonds (distance) C4'-P energy: -71.600
bonds (distance) P-C4' energy: -65.083
flat angles C4'-P-C4' energy: -81.607
flat angles P-C4'-P energy: -50.545
tors. eta vs tors. theta energy: -46.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -633.317925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.317925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.317925 (E_RNA)
where:
Base-Base interactions energy: -345.242
where: short stacking energy: -185.495
Base-Backbone interact. energy: 1.312
local terms energy: -289.388021
where:
bonds (distance) C4'-P energy: -77.629
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -22.157
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: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -469.010568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.010568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.010568 (E_RNA)
where:
Base-Base interactions energy: -218.431
where: short stacking energy: -118.384
Base-Backbone interact. energy: -1.662
local terms energy: -248.916997
where:
bonds (distance) C4'-P energy: -86.558
bonds (distance) P-C4' energy: -71.287
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: 15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1703.730300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.730300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.730300 (E_RNA)
where:
Base-Base interactions energy: -1185.076
where: short stacking energy: -526.660
Base-Backbone interact. energy: 4.287
local terms energy: -522.941589
where:
bonds (distance) C4'-P energy: -94.602
bonds (distance) P-C4' energy: -104.997
flat angles C4'-P-C4' energy: -111.065
flat angles P-C4'-P energy: -68.329
tors. eta vs tors. theta energy: -143.948
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: 110
Temperature: 0.950000
Total energy: -1622.297196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.297196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.297196 (E_RNA)
where:
Base-Base interactions energy: -1125.258
where: short stacking energy: -470.160
Base-Backbone interact. energy: -2.941
local terms energy: -494.098685
where:
bonds (distance) C4'-P energy: -97.420
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -102.074
flat angles P-C4'-P energy: -69.030
tors. eta vs tors. theta energy: -124.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1571.432719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.432719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.432719 (E_RNA)
where:
Base-Base interactions energy: -1064.632
where: short stacking energy: -469.108
Base-Backbone interact. energy: -0.645
local terms energy: -506.156361
where:
bonds (distance) C4'-P energy: -102.949
bonds (distance) P-C4' energy: -96.903
flat angles C4'-P-C4' energy: -120.531
flat angles P-C4'-P energy: -59.866
tors. eta vs tors. theta energy: -125.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1478.262932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.262932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.262932 (E_RNA)
where:
Base-Base interactions energy: -1015.893
where: short stacking energy: -441.988
Base-Backbone interact. energy: 1.014
local terms energy: -463.384636
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -91.864
flat angles C4'-P-C4' energy: -91.204
flat angles P-C4'-P energy: -74.939
tors. eta vs tors. theta energy: -112.436
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: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1329.178987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.178987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.178987 (E_RNA)
where:
Base-Base interactions energy: -875.467
where: short stacking energy: -402.966
Base-Backbone interact. energy: 0.022
local terms energy: -453.733820
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -90.486
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -74.479
tors. eta vs tors. theta energy: -107.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1107.573695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.573695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.573695 (E_RNA)
where:
Base-Base interactions energy: -709.620
where: short stacking energy: -331.678
Base-Backbone interact. energy: -0.953
local terms energy: -397.000629
where:
bonds (distance) C4'-P energy: -93.655
bonds (distance) P-C4' energy: -87.386
flat angles C4'-P-C4' energy: -77.374
flat angles P-C4'-P energy: -56.053
tors. eta vs tors. theta energy: -82.531
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: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1021.991660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.991660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.991660 (E_RNA)
where:
Base-Base interactions energy: -646.407
where: short stacking energy: -319.844
Base-Backbone interact. energy: 0.716
local terms energy: -376.300063
where:
bonds (distance) C4'-P energy: -74.309
bonds (distance) P-C4' energy: -88.964
flat angles C4'-P-C4' energy: -85.009
flat angles P-C4'-P energy: -59.373
tors. eta vs tors. theta energy: -68.644
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: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -823.152253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.152253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.152253 (E_RNA)
where:
Base-Base interactions energy: -493.495
where: short stacking energy: -216.390
Base-Backbone interact. energy: 0.363
local terms energy: -330.020211
where:
bonds (distance) C4'-P energy: -88.378
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -28.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -680.369631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.369631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.369631 (E_RNA)
where:
Base-Base interactions energy: -362.629
where: short stacking energy: -197.317
Base-Backbone interact. energy: -3.070
local terms energy: -314.670539
where:
bonds (distance) C4'-P energy: -83.148
bonds (distance) P-C4' energy: -88.497
flat angles C4'-P-C4' energy: -77.115
flat angles P-C4'-P energy: -49.347
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -522.569540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.569540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.569540 (E_RNA)
where:
Base-Base interactions energy: -252.506
where: short stacking energy: -141.415
Base-Backbone interact. energy: -2.247
local terms energy: -267.815805
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -88.528
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: 10.153
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: 111
Temperature: 0.900000
Total energy: -1704.029547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.029547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.029547 (E_RNA)
where:
Base-Base interactions energy: -1185.231
where: short stacking energy: -530.813
Base-Backbone interact. energy: -0.567
local terms energy: -518.231439
where:
bonds (distance) C4'-P energy: -80.046
bonds (distance) P-C4' energy: -101.661
flat angles C4'-P-C4' energy: -115.128
flat angles P-C4'-P energy: -81.971
tors. eta vs tors. theta energy: -139.425
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: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1594.774256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.774256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.774256 (E_RNA)
where:
Base-Base interactions energy: -1100.511
where: short stacking energy: -465.880
Base-Backbone interact. energy: -2.531
local terms energy: -491.732179
where:
bonds (distance) C4'-P energy: -87.900
bonds (distance) P-C4' energy: -103.332
flat angles C4'-P-C4' energy: -114.422
flat angles P-C4'-P energy: -59.141
tors. eta vs tors. theta energy: -126.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1528.946392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.946392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.946392 (E_RNA)
where:
Base-Base interactions energy: -1057.194
where: short stacking energy: -452.149
Base-Backbone interact. energy: -0.127
local terms energy: -471.625412
where:
bonds (distance) C4'-P energy: -90.069
bonds (distance) P-C4' energy: -95.651
flat angles C4'-P-C4' energy: -99.645
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -124.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1462.621511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.621511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.621511 (E_RNA)
where:
Base-Base interactions energy: -1002.750
where: short stacking energy: -433.026
Base-Backbone interact. energy: -2.788
local terms energy: -457.083360
where:
bonds (distance) C4'-P energy: -82.692
bonds (distance) P-C4' energy: -98.018
flat angles C4'-P-C4' energy: -108.514
flat angles P-C4'-P energy: -69.971
tors. eta vs tors. theta energy: -97.888
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1342.577012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.577012 (E_RNA)
where:
Base-Base interactions energy: -887.323
where: short stacking energy: -404.416
Base-Backbone interact. energy: 3.327
local terms energy: -458.581220
where:
bonds (distance) C4'-P energy: -85.192
bonds (distance) P-C4' energy: -94.971
flat angles C4'-P-C4' energy: -101.216
flat angles P-C4'-P energy: -69.127
tors. eta vs tors. theta energy: -108.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1110.051574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.051574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.051574 (E_RNA)
where:
Base-Base interactions energy: -738.823
where: short stacking energy: -301.431
Base-Backbone interact. energy: -1.154
local terms energy: -370.074303
where:
bonds (distance) C4'-P energy: -89.268
bonds (distance) P-C4' energy: -77.956
flat angles C4'-P-C4' energy: -86.054
flat angles P-C4'-P energy: -57.683
tors. eta vs tors. theta energy: -59.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1025.228948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.228948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.228948 (E_RNA)
where:
Base-Base interactions energy: -671.397
where: short stacking energy: -315.651
Base-Backbone interact. energy: 0.115
local terms energy: -353.947719
where:
bonds (distance) C4'-P energy: -74.694
bonds (distance) P-C4' energy: -83.555
flat angles C4'-P-C4' energy: -75.363
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -77.804
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -833.110869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.110869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.110869 (E_RNA)
where:
Base-Base interactions energy: -499.642
where: short stacking energy: -215.987
Base-Backbone interact. energy: -2.240
local terms energy: -331.229187
where:
bonds (distance) C4'-P energy: -79.957
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -87.745
flat angles P-C4'-P energy: -65.216
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -651.040222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.040222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.040222 (E_RNA)
where:
Base-Base interactions energy: -331.970
where: short stacking energy: -193.169
Base-Backbone interact. energy: 0.902
local terms energy: -319.972615
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -91.594
flat angles C4'-P-C4' energy: -80.403
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -532.271534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.271534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.271534 (E_RNA)
where:
Base-Base interactions energy: -282.336
where: short stacking energy: -155.759
Base-Backbone interact. energy: 2.480
local terms energy: -252.414909
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -67.453
flat angles P-C4'-P energy: -59.340
tors. eta vs tors. theta energy: 5.280
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: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1696.901361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.901361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.901361 (E_RNA)
where:
Base-Base interactions energy: -1161.496
where: short stacking energy: -500.957
Base-Backbone interact. energy: -2.452
local terms energy: -532.953097
where:
bonds (distance) C4'-P energy: -90.999
bonds (distance) P-C4' energy: -107.830
flat angles C4'-P-C4' energy: -120.576
flat angles P-C4'-P energy: -74.887
tors. eta vs tors. theta energy: -138.661
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: 112
Temperature: 0.950000
Total energy: -1594.238686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.238686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.238686 (E_RNA)
where:
Base-Base interactions energy: -1092.813
where: short stacking energy: -466.894
Base-Backbone interact. energy: 1.188
local terms energy: -502.613545
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -95.462
flat angles C4'-P-C4' energy: -106.777
flat angles P-C4'-P energy: -63.208
tors. eta vs tors. theta energy: -137.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1508.356421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.356421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.356421 (E_RNA)
where:
Base-Base interactions energy: -1052.642
where: short stacking energy: -420.753
Base-Backbone interact. energy: 1.400
local terms energy: -457.114577
where:
bonds (distance) C4'-P energy: -84.779
bonds (distance) P-C4' energy: -91.187
flat angles C4'-P-C4' energy: -96.973
flat angles P-C4'-P energy: -68.586
tors. eta vs tors. theta energy: -115.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1496.005549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.005549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.005549 (E_RNA)
where:
Base-Base interactions energy: -1037.558
where: short stacking energy: -448.105
Base-Backbone interact. energy: -1.876
local terms energy: -456.571482
where:
bonds (distance) C4'-P energy: -78.738
bonds (distance) P-C4' energy: -86.319
flat angles C4'-P-C4' energy: -107.031
flat angles P-C4'-P energy: -55.722
tors. eta vs tors. theta energy: -128.761
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1333.437098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.437098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.437098 (E_RNA)
where:
Base-Base interactions energy: -909.073
where: short stacking energy: -409.961
Base-Backbone interact. energy: -1.347
local terms energy: -423.017457
where:
bonds (distance) C4'-P energy: -75.359
bonds (distance) P-C4' energy: -84.609
flat angles C4'-P-C4' energy: -95.544
flat angles P-C4'-P energy: -54.951
tors. eta vs tors. theta energy: -112.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1114.987823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.987823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.987823 (E_RNA)
where:
Base-Base interactions energy: -727.370
where: short stacking energy: -332.166
Base-Backbone interact. energy: -0.733
local terms energy: -386.885740
where:
bonds (distance) C4'-P energy: -79.363
bonds (distance) P-C4' energy: -81.547
flat angles C4'-P-C4' energy: -101.963
flat angles P-C4'-P energy: -50.728
tors. eta vs tors. theta energy: -73.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1029.546988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.546988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.546988 (E_RNA)
where:
Base-Base interactions energy: -659.652
where: short stacking energy: -321.611
Base-Backbone interact. energy: -0.266
local terms energy: -369.628121
where:
bonds (distance) C4'-P energy: -91.653
bonds (distance) P-C4' energy: -75.363
flat angles C4'-P-C4' energy: -77.352
flat angles P-C4'-P energy: -60.467
tors. eta vs tors. theta energy: -64.795
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: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -830.854751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.854751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.854751 (E_RNA)
where:
Base-Base interactions energy: -496.486
where: short stacking energy: -229.602
Base-Backbone interact. energy: 0.471
local terms energy: -334.839651
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -92.721
flat angles C4'-P-C4' energy: -78.658
flat angles P-C4'-P energy: -55.346
tors. eta vs tors. theta energy: -24.661
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: 112
Temperature: 1.300000
Total energy: -631.258578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.258578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.258578 (E_RNA)
where:
Base-Base interactions energy: -350.395
where: short stacking energy: -188.733
Base-Backbone interact. energy: -1.242
local terms energy: -279.621748
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -82.193
flat angles C4'-P-C4' energy: -75.303
flat angles P-C4'-P energy: -46.380
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -533.354591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.354591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.354591 (E_RNA)
where:
Base-Base interactions energy: -267.135
where: short stacking energy: -151.304
Base-Backbone interact. energy: -1.737
local terms energy: -264.483134
where:
bonds (distance) C4'-P energy: -84.710
bonds (distance) P-C4' energy: -81.055
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -47.778
tors. eta vs tors. theta energy: -0.803
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: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1677.597392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.597392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.597392 (E_RNA)
where:
Base-Base interactions energy: -1144.467
where: short stacking energy: -497.390
Base-Backbone interact. energy: -2.917
local terms energy: -530.213198
where:
bonds (distance) C4'-P energy: -95.973
bonds (distance) P-C4' energy: -90.934
flat angles C4'-P-C4' energy: -117.442
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -147.515
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: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1555.240587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.240587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.240587 (E_RNA)
where:
Base-Base interactions energy: -1072.553
where: short stacking energy: -447.880
Base-Backbone interact. energy: -2.040
local terms energy: -480.647290
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -85.632
flat angles C4'-P-C4' energy: -104.994
flat angles P-C4'-P energy: -79.640
tors. eta vs tors. theta energy: -114.486
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: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1559.911769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.911769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.911769 (E_RNA)
where:
Base-Base interactions energy: -1070.466
where: short stacking energy: -434.807
Base-Backbone interact. energy: 0.403
local terms energy: -489.848551
where:
bonds (distance) C4'-P energy: -87.872
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -110.533
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -133.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1507.020272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.020272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.020272 (E_RNA)
where:
Base-Base interactions energy: -1024.175
where: short stacking energy: -451.159
Base-Backbone interact. energy: -3.858
local terms energy: -478.987503
where:
bonds (distance) C4'-P energy: -82.769
bonds (distance) P-C4' energy: -99.994
flat angles C4'-P-C4' energy: -106.425
flat angles P-C4'-P energy: -66.976
tors. eta vs tors. theta energy: -122.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1367.580392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.580392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.580392 (E_RNA)
where:
Base-Base interactions energy: -911.906
where: short stacking energy: -423.556
Base-Backbone interact. energy: 1.869
local terms energy: -457.542966
where:
bonds (distance) C4'-P energy: -85.879
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -75.194
flat angles P-C4'-P energy: -78.459
tors. eta vs tors. theta energy: -123.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1124.783126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.783126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.783126 (E_RNA)
where:
Base-Base interactions energy: -719.999
where: short stacking energy: -322.482
Base-Backbone interact. energy: -2.015
local terms energy: -402.768737
where:
bonds (distance) C4'-P energy: -77.731
bonds (distance) P-C4' energy: -90.815
flat angles C4'-P-C4' energy: -94.408
flat angles P-C4'-P energy: -67.509
tors. eta vs tors. theta energy: -72.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1041.851384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.851384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.851384 (E_RNA)
where:
Base-Base interactions energy: -655.769
where: short stacking energy: -333.485
Base-Backbone interact. energy: -1.921
local terms energy: -384.162023
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -85.131
flat angles C4'-P-C4' energy: -88.770
flat angles P-C4'-P energy: -57.013
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -822.849350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.849350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.849350 (E_RNA)
where:
Base-Base interactions energy: -511.638
where: short stacking energy: -250.007
Base-Backbone interact. energy: -1.889
local terms energy: -309.321971
where:
bonds (distance) C4'-P energy: -72.149
bonds (distance) P-C4' energy: -87.230
flat angles C4'-P-C4' energy: -89.540
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -643.179631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.179631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.179631 (E_RNA)
where:
Base-Base interactions energy: -368.584
where: short stacking energy: -197.436
Base-Backbone interact. energy: -3.687
local terms energy: -270.908775
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -32.710
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -614.785060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.785060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.785060 (E_RNA)
where:
Base-Base interactions energy: -344.744
where: short stacking energy: -192.093
Base-Backbone interact. energy: 7.680
local terms energy: -277.720719
where:
bonds (distance) C4'-P energy: -77.246
bonds (distance) P-C4' energy: -74.997
flat angles C4'-P-C4' energy: -77.425
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -2.333
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: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1697.548868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.548868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.548868 (E_RNA)
where:
Base-Base interactions energy: -1166.070
where: short stacking energy: -481.490
Base-Backbone interact. energy: -2.222
local terms energy: -529.256319
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -113.251
flat angles P-C4'-P energy: -81.156
tors. eta vs tors. theta energy: -141.793
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: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1570.620249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.620249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.620249 (E_RNA)
where:
Base-Base interactions energy: -1084.722
where: short stacking energy: -454.530
Base-Backbone interact. energy: 0.460
local terms energy: -486.359016
where:
bonds (distance) C4'-P energy: -105.847
bonds (distance) P-C4' energy: -96.914
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -62.635
tors. eta vs tors. theta energy: -115.760
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1570.466262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.466262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.466262 (E_RNA)
where:
Base-Base interactions energy: -1090.296
where: short stacking energy: -472.038
Base-Backbone interact. energy: -0.632
local terms energy: -479.537917
where:
bonds (distance) C4'-P energy: -99.544
bonds (distance) P-C4' energy: -84.231
flat angles C4'-P-C4' energy: -111.195
flat angles P-C4'-P energy: -56.394
tors. eta vs tors. theta energy: -128.174
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: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1484.953125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.953125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.953125 (E_RNA)
where:
Base-Base interactions energy: -1023.885
where: short stacking energy: -442.004
Base-Backbone interact. energy: -3.155
local terms energy: -457.913133
where:
bonds (distance) C4'-P energy: -89.072
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -98.549
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: -124.900
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1326.540397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.540397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.540397 (E_RNA)
where:
Base-Base interactions energy: -923.647
where: short stacking energy: -419.244
Base-Backbone interact. energy: -1.427
local terms energy: -401.466494
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -81.887
flat angles C4'-P-C4' energy: -85.192
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -103.871
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: 114
Temperature: 1.150000
Total energy: -1073.536753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.536753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.536753 (E_RNA)
where:
Base-Base interactions energy: -673.997
where: short stacking energy: -310.137
Base-Backbone interact. energy: -2.857
local terms energy: -396.683448
where:
bonds (distance) C4'-P energy: -93.739
bonds (distance) P-C4' energy: -95.800
flat angles C4'-P-C4' energy: -89.739
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -69.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1025.687282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.687282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.687282 (E_RNA)
where:
Base-Base interactions energy: -650.851
where: short stacking energy: -309.821
Base-Backbone interact. energy: 1.794
local terms energy: -376.630243
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -84.643
flat angles C4'-P-C4' energy: -91.729
flat angles P-C4'-P energy: -54.857
tors. eta vs tors. theta energy: -62.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -883.169888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.169888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.169888 (E_RNA)
where:
Base-Base interactions energy: -520.230
where: short stacking energy: -244.414
Base-Backbone interact. energy: 0.593
local terms energy: -363.532593
where:
bonds (distance) C4'-P energy: -91.262
bonds (distance) P-C4' energy: -95.499
flat angles C4'-P-C4' energy: -82.115
flat angles P-C4'-P energy: -51.963
tors. eta vs tors. theta energy: -42.694
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: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -674.395309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.395309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.395309 (E_RNA)
where:
Base-Base interactions energy: -377.086
where: short stacking energy: -190.444
Base-Backbone interact. energy: 0.218
local terms energy: -297.527133
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -91.828
flat angles C4'-P-C4' energy: -79.573
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -4.959
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -634.828008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.828008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.828008 (E_RNA)
where:
Base-Base interactions energy: -349.530
where: short stacking energy: -188.672
Base-Backbone interact. energy: -2.290
local terms energy: -283.007853
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -84.836
flat angles C4'-P-C4' energy: -79.460
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -16.684
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: 115
Temperature: 0.900000
Total energy: -1681.333829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.333829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.333829 (E_RNA)
where:
Base-Base interactions energy: -1160.032
where: short stacking energy: -520.673
Base-Backbone interact. energy: 0.588
local terms energy: -521.890076
where:
bonds (distance) C4'-P energy: -94.534
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -115.076
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -142.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1581.193192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.193192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.193192 (E_RNA)
where:
Base-Base interactions energy: -1075.557
where: short stacking energy: -473.537
Base-Backbone interact. energy: -1.376
local terms energy: -504.260328
where:
bonds (distance) C4'-P energy: -95.626
bonds (distance) P-C4' energy: -108.544
flat angles C4'-P-C4' energy: -109.392
flat angles P-C4'-P energy: -67.902
tors. eta vs tors. theta energy: -122.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1580.911250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.911250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.911250 (E_RNA)
where:
Base-Base interactions energy: -1071.430
where: short stacking energy: -463.982
Base-Backbone interact. energy: -1.166
local terms energy: -508.315476
where:
bonds (distance) C4'-P energy: -94.551
bonds (distance) P-C4' energy: -106.094
flat angles C4'-P-C4' energy: -106.780
flat angles P-C4'-P energy: -70.727
tors. eta vs tors. theta energy: -130.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1464.628420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.628420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.628420 (E_RNA)
where:
Base-Base interactions energy: -1012.937
where: short stacking energy: -428.933
Base-Backbone interact. energy: -3.828
local terms energy: -447.862730
where:
bonds (distance) C4'-P energy: -74.722
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -99.587
flat angles P-C4'-P energy: -58.898
tors. eta vs tors. theta energy: -123.853
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: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1345.724933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.724933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.724933 (E_RNA)
where:
Base-Base interactions energy: -899.133
where: short stacking energy: -383.544
Base-Backbone interact. energy: 7.507
local terms energy: -454.098947
where:
bonds (distance) C4'-P energy: -100.234
bonds (distance) P-C4' energy: -85.061
flat angles C4'-P-C4' energy: -97.911
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -110.021
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1095.893124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.893124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.893124 (E_RNA)
where:
Base-Base interactions energy: -723.445
where: short stacking energy: -325.071
Base-Backbone interact. energy: -1.516
local terms energy: -370.931821
where:
bonds (distance) C4'-P energy: -93.080
bonds (distance) P-C4' energy: -80.214
flat angles C4'-P-C4' energy: -77.701
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -67.672
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: 115
Temperature: 1.200000
Total energy: -983.031715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.031715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.031715 (E_RNA)
where:
Base-Base interactions energy: -611.909
where: short stacking energy: -291.543
Base-Backbone interact. energy: -0.587
local terms energy: -370.535405
where:
bonds (distance) C4'-P energy: -71.989
bonds (distance) P-C4' energy: -92.867
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -47.078
tors. eta vs tors. theta energy: -65.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -888.931390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.931390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.931390 (E_RNA)
where:
Base-Base interactions energy: -535.022
where: short stacking energy: -251.400
Base-Backbone interact. energy: 0.158
local terms energy: -354.067429
where:
bonds (distance) C4'-P energy: -83.812
bonds (distance) P-C4' energy: -100.045
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -53.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -646.605971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.605971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.605971 (E_RNA)
where:
Base-Base interactions energy: -360.872
where: short stacking energy: -182.022
Base-Backbone interact. energy: 2.916
local terms energy: -288.649092
where:
bonds (distance) C4'-P energy: -73.481
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -17.865
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: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -631.309611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.309611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.309611 (E_RNA)
where:
Base-Base interactions energy: -350.134
where: short stacking energy: -163.487
Base-Backbone interact. energy: -2.263
local terms energy: -278.913042
where:
bonds (distance) C4'-P energy: -77.042
bonds (distance) P-C4' energy: -100.413
flat angles C4'-P-C4' energy: -62.291
flat angles P-C4'-P energy: -38.597
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: 116
Temperature: 0.900000
Total energy: -1666.645571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.645571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.645571 (E_RNA)
where:
Base-Base interactions energy: -1145.040
where: short stacking energy: -497.230
Base-Backbone interact. energy: 1.665
local terms energy: -523.271212
where:
bonds (distance) C4'-P energy: -111.035
bonds (distance) P-C4' energy: -94.467
flat angles C4'-P-C4' energy: -109.053
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -137.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1587.983160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.983160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.983160 (E_RNA)
where:
Base-Base interactions energy: -1098.245
where: short stacking energy: -457.185
Base-Backbone interact. energy: -0.493
local terms energy: -489.244849
where:
bonds (distance) C4'-P energy: -96.765
bonds (distance) P-C4' energy: -94.855
flat angles C4'-P-C4' energy: -100.063
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -123.129
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: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1556.361763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.361763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.361763 (E_RNA)
where:
Base-Base interactions energy: -1081.793
where: short stacking energy: -452.502
Base-Backbone interact. energy: 0.451
local terms energy: -475.019836
where:
bonds (distance) C4'-P energy: -91.763
bonds (distance) P-C4' energy: -94.859
flat angles C4'-P-C4' energy: -107.184
flat angles P-C4'-P energy: -58.375
tors. eta vs tors. theta energy: -122.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1517.947867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.947867 (E_RNA)
where:
Base-Base interactions energy: -1059.766
where: short stacking energy: -431.292
Base-Backbone interact. energy: -1.341
local terms energy: -456.841067
where:
bonds (distance) C4'-P energy: -80.854
bonds (distance) P-C4' energy: -84.404
flat angles C4'-P-C4' energy: -91.515
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -126.977
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: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1348.452173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.452173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.452173 (E_RNA)
where:
Base-Base interactions energy: -888.905
where: short stacking energy: -407.896
Base-Backbone interact. energy: -3.716
local terms energy: -455.831491
where:
bonds (distance) C4'-P energy: -87.862
bonds (distance) P-C4' energy: -88.857
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -121.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1121.660816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.660816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.660816 (E_RNA)
where:
Base-Base interactions energy: -727.142
where: short stacking energy: -316.338
Base-Backbone interact. energy: -2.950
local terms energy: -391.568427
where:
bonds (distance) C4'-P energy: -91.077
bonds (distance) P-C4' energy: -87.383
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -67.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1028.595773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.595773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.595773 (E_RNA)
where:
Base-Base interactions energy: -669.361
where: short stacking energy: -312.033
Base-Backbone interact. energy: 0.329
local terms energy: -359.564405
where:
bonds (distance) C4'-P energy: -74.723
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -100.468
flat angles P-C4'-P energy: -52.019
tors. eta vs tors. theta energy: -57.088
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -895.142607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.142607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.142607 (E_RNA)
where:
Base-Base interactions energy: -558.099
where: short stacking energy: -254.164
Base-Backbone interact. energy: -3.197
local terms energy: -333.847041
where:
bonds (distance) C4'-P energy: -87.770
bonds (distance) P-C4' energy: -83.865
flat angles C4'-P-C4' energy: -85.824
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -35.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -669.177970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.177970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.177970 (E_RNA)
where:
Base-Base interactions energy: -377.718
where: short stacking energy: -190.869
Base-Backbone interact. energy: -0.684
local terms energy: -290.776622
where:
bonds (distance) C4'-P energy: -81.892
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -15.028
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: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -614.629513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.629513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.629513 (E_RNA)
where:
Base-Base interactions energy: -345.051
where: short stacking energy: -204.373
Base-Backbone interact. energy: 1.113
local terms energy: -270.690854
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -84.963
flat angles C4'-P-C4' energy: -66.156
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -2.835
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: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1688.939941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.939941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.939941 (E_RNA)
where:
Base-Base interactions energy: -1169.362
where: short stacking energy: -483.361
Base-Backbone interact. energy: -3.841
local terms energy: -515.737865
where:
bonds (distance) C4'-P energy: -96.693
bonds (distance) P-C4' energy: -106.709
flat angles C4'-P-C4' energy: -102.511
flat angles P-C4'-P energy: -67.092
tors. eta vs tors. theta energy: -142.733
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1568.746619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.746619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.746619 (E_RNA)
where:
Base-Base interactions energy: -1089.587
where: short stacking energy: -457.792
Base-Backbone interact. energy: -1.074
local terms energy: -478.085028
where:
bonds (distance) C4'-P energy: -97.297
bonds (distance) P-C4' energy: -84.175
flat angles C4'-P-C4' energy: -104.554
flat angles P-C4'-P energy: -69.483
tors. eta vs tors. theta energy: -122.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1522.650413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.650413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.650413 (E_RNA)
where:
Base-Base interactions energy: -1064.432
where: short stacking energy: -436.074
Base-Backbone interact. energy: -0.799
local terms energy: -457.419252
where:
bonds (distance) C4'-P energy: -82.557
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -93.408
flat angles P-C4'-P energy: -62.776
tors. eta vs tors. theta energy: -117.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1509.458171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.458171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.458171 (E_RNA)
where:
Base-Base interactions energy: -1018.275
where: short stacking energy: -450.841
Base-Backbone interact. energy: -2.478
local terms energy: -488.705486
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -90.617
flat angles C4'-P-C4' energy: -113.385
flat angles P-C4'-P energy: -65.881
tors. eta vs tors. theta energy: -130.723
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1389.998256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.998256 (E_RNA)
where:
Base-Base interactions energy: -916.851
where: short stacking energy: -433.526
Base-Backbone interact. energy: 0.178
local terms energy: -473.325110
where:
bonds (distance) C4'-P energy: -70.068
bonds (distance) P-C4' energy: -107.722
flat angles C4'-P-C4' energy: -114.059
flat angles P-C4'-P energy: -61.285
tors. eta vs tors. theta energy: -120.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1103.657750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.657750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.657750 (E_RNA)
where:
Base-Base interactions energy: -715.164
where: short stacking energy: -329.623
Base-Backbone interact. energy: -1.283
local terms energy: -387.210597
where:
bonds (distance) C4'-P energy: -77.679
bonds (distance) P-C4' energy: -85.939
flat angles C4'-P-C4' energy: -84.018
flat angles P-C4'-P energy: -58.605
tors. eta vs tors. theta energy: -80.970
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: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1032.982762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.982762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.982762 (E_RNA)
where:
Base-Base interactions energy: -669.871
where: short stacking energy: -324.770
Base-Backbone interact. energy: -0.900
local terms energy: -362.212254
where:
bonds (distance) C4'-P energy: -69.067
bonds (distance) P-C4' energy: -81.539
flat angles C4'-P-C4' energy: -91.719
flat angles P-C4'-P energy: -49.243
tors. eta vs tors. theta energy: -70.644
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: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -917.703054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.703054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.703054 (E_RNA)
where:
Base-Base interactions energy: -544.722
where: short stacking energy: -227.660
Base-Backbone interact. energy: 0.845
local terms energy: -373.826333
where:
bonds (distance) C4'-P energy: -97.548
bonds (distance) P-C4' energy: -87.552
flat angles C4'-P-C4' energy: -91.750
flat angles P-C4'-P energy: -52.711
tors. eta vs tors. theta energy: -44.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -667.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.808332 (E_RNA)
where:
Base-Base interactions energy: -390.783
where: short stacking energy: -206.417
Base-Backbone interact. energy: 2.862
local terms energy: -279.887100
where:
bonds (distance) C4'-P energy: -71.774
bonds (distance) P-C4' energy: -74.435
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -47.861
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -557.939403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.939403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.939403 (E_RNA)
where:
Base-Base interactions energy: -299.371
where: short stacking energy: -177.573
Base-Backbone interact. energy: 0.606
local terms energy: -259.174241
where:
bonds (distance) C4'-P energy: -71.913
bonds (distance) P-C4' energy: -79.067
flat angles C4'-P-C4' energy: -62.640
flat angles P-C4'-P energy: -31.160
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1707.675124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.675124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.675124 (E_RNA)
where:
Base-Base interactions energy: -1169.408
where: short stacking energy: -487.075
Base-Backbone interact. energy: -3.311
local terms energy: -534.956067
where:
bonds (distance) C4'-P energy: -108.294
bonds (distance) P-C4' energy: -93.693
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -76.852
tors. eta vs tors. theta energy: -138.085
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1563.464123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.464123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.464123 (E_RNA)
where:
Base-Base interactions energy: -1069.732
where: short stacking energy: -437.477
Base-Backbone interact. energy: -1.775
local terms energy: -491.957409
where:
bonds (distance) C4'-P energy: -89.115
bonds (distance) P-C4' energy: -110.765
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -76.685
tors. eta vs tors. theta energy: -116.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1496.825204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.825204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.825204 (E_RNA)
where:
Base-Base interactions energy: -1033.068
where: short stacking energy: -438.788
Base-Backbone interact. energy: -0.982
local terms energy: -462.775981
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -94.690
flat angles C4'-P-C4' energy: -97.805
flat angles P-C4'-P energy: -65.498
tors. eta vs tors. theta energy: -107.538
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: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1501.253631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.253631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.253631 (E_RNA)
where:
Base-Base interactions energy: -1027.306
where: short stacking energy: -421.486
Base-Backbone interact. energy: 9.650
local terms energy: -483.598131
where:
bonds (distance) C4'-P energy: -87.902
bonds (distance) P-C4' energy: -103.836
flat angles C4'-P-C4' energy: -100.764
flat angles P-C4'-P energy: -58.872
tors. eta vs tors. theta energy: -132.224
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: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1362.139630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.139630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.139630 (E_RNA)
where:
Base-Base interactions energy: -879.047
where: short stacking energy: -423.713
Base-Backbone interact. energy: -3.275
local terms energy: -479.817505
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -97.538
flat angles P-C4'-P energy: -60.567
tors. eta vs tors. theta energy: -128.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1134.683100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.683100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.683100 (E_RNA)
where:
Base-Base interactions energy: -741.249
where: short stacking energy: -321.747
Base-Backbone interact. energy: 0.721
local terms energy: -394.154879
where:
bonds (distance) C4'-P energy: -75.909
bonds (distance) P-C4' energy: -83.688
flat angles C4'-P-C4' energy: -98.245
flat angles P-C4'-P energy: -65.491
tors. eta vs tors. theta energy: -70.823
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: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -946.934488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.934488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.934488 (E_RNA)
where:
Base-Base interactions energy: -597.137
where: short stacking energy: -270.321
Base-Backbone interact. energy: -2.005
local terms energy: -347.792453
where:
bonds (distance) C4'-P energy: -69.949
bonds (distance) P-C4' energy: -86.484
flat angles C4'-P-C4' energy: -88.148
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -54.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -976.880513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.880513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.880513 (E_RNA)
where:
Base-Base interactions energy: -601.088
where: short stacking energy: -272.870
Base-Backbone interact. energy: 2.017
local terms energy: -377.810161
where:
bonds (distance) C4'-P energy: -84.620
bonds (distance) P-C4' energy: -87.820
flat angles C4'-P-C4' energy: -93.849
flat angles P-C4'-P energy: -53.979
tors. eta vs tors. theta energy: -57.543
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: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -633.383848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.383848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.383848 (E_RNA)
where:
Base-Base interactions energy: -304.351
where: short stacking energy: -180.350
Base-Backbone interact. energy: 0.908
local terms energy: -329.941141
where:
bonds (distance) C4'-P energy: -97.641
bonds (distance) P-C4' energy: -96.499
flat angles C4'-P-C4' energy: -76.449
flat angles P-C4'-P energy: -36.404
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -508.653265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.653265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.653265 (E_RNA)
where:
Base-Base interactions energy: -249.550
where: short stacking energy: -137.677
Base-Backbone interact. energy: -1.237
local terms energy: -257.866339
where:
bonds (distance) C4'-P energy: -70.945
bonds (distance) P-C4' energy: -76.032
flat angles C4'-P-C4' energy: -84.657
flat angles P-C4'-P energy: -43.898
tors. eta vs tors. theta energy: 17.665
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: 119
Temperature: 0.900000
Total energy: -1698.706003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.706003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.706003 (E_RNA)
where:
Base-Base interactions energy: -1172.420
where: short stacking energy: -498.637
Base-Backbone interact. energy: -3.151
local terms energy: -523.134908
where:
bonds (distance) C4'-P energy: -90.054
bonds (distance) P-C4' energy: -107.868
flat angles C4'-P-C4' energy: -110.466
flat angles P-C4'-P energy: -71.922
tors. eta vs tors. theta energy: -142.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1557.444214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.444214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.444214 (E_RNA)
where:
Base-Base interactions energy: -1091.196
where: short stacking energy: -456.553
Base-Backbone interact. energy: -5.018
local terms energy: -461.230783
where:
bonds (distance) C4'-P energy: -71.759
bonds (distance) P-C4' energy: -99.118
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -63.126
tors. eta vs tors. theta energy: -118.511
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: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1519.257950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.257950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.257950 (E_RNA)
where:
Base-Base interactions energy: -1040.214
where: short stacking energy: -419.563
Base-Backbone interact. energy: 0.353
local terms energy: -479.397082
where:
bonds (distance) C4'-P energy: -93.765
bonds (distance) P-C4' energy: -89.594
flat angles C4'-P-C4' energy: -108.478
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -123.588
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: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1422.183865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.183865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.183865 (E_RNA)
where:
Base-Base interactions energy: -956.558
where: short stacking energy: -427.303
Base-Backbone interact. energy: -4.053
local terms energy: -461.572166
where:
bonds (distance) C4'-P energy: -95.920
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -101.183
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -116.252
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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1380.847373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.847373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.847373 (E_RNA)
where:
Base-Base interactions energy: -941.010
where: short stacking energy: -442.819
Base-Backbone interact. energy: -1.867
local terms energy: -437.969697
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -91.859
flat angles P-C4'-P energy: -61.519
tors. eta vs tors. theta energy: -119.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1201.458914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.458914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.458914 (E_RNA)
where:
Base-Base interactions energy: -808.846
where: short stacking energy: -341.212
Base-Backbone interact. energy: -1.466
local terms energy: -391.146767
where:
bonds (distance) C4'-P energy: -77.623
bonds (distance) P-C4' energy: -80.195
flat angles C4'-P-C4' energy: -81.085
flat angles P-C4'-P energy: -64.921
tors. eta vs tors. theta energy: -87.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -966.690908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.690908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.690908 (E_RNA)
where:
Base-Base interactions energy: -624.798
where: short stacking energy: -302.384
Base-Backbone interact. energy: -1.411
local terms energy: -340.481602
where:
bonds (distance) C4'-P energy: -69.936
bonds (distance) P-C4' energy: -64.826
flat angles C4'-P-C4' energy: -94.780
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -64.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -920.301483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.301483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.301483 (E_RNA)
where:
Base-Base interactions energy: -568.235
where: short stacking energy: -277.747
Base-Backbone interact. energy: 1.931
local terms energy: -353.997133
where:
bonds (distance) C4'-P energy: -81.518
bonds (distance) P-C4' energy: -74.450
flat angles C4'-P-C4' energy: -86.135
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -56.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -671.402080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.402080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.402080 (E_RNA)
where:
Base-Base interactions energy: -400.304
where: short stacking energy: -187.393
Base-Backbone interact. energy: -0.349
local terms energy: -270.748579
where:
bonds (distance) C4'-P energy: -71.908
bonds (distance) P-C4' energy: -77.957
flat angles C4'-P-C4' energy: -61.435
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: -15.193
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: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -502.833691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.833691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.833691 (E_RNA)
where:
Base-Base interactions energy: -238.708
where: short stacking energy: -132.263
Base-Backbone interact. energy: 3.146
local terms energy: -267.271775
where:
bonds (distance) C4'-P energy: -67.488
bonds (distance) P-C4' energy: -82.551
flat angles C4'-P-C4' energy: -77.359
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -3.430
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: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1697.424821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.424821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.424821 (E_RNA)
where:
Base-Base interactions energy: -1157.010
where: short stacking energy: -486.312
Base-Backbone interact. energy: -1.230
local terms energy: -539.185085
where:
bonds (distance) C4'-P energy: -97.319
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -119.255
flat angles P-C4'-P energy: -72.138
tors. eta vs tors. theta energy: -144.732
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: 120
Temperature: 0.950000
Total energy: -1550.844545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.844545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.844545 (E_RNA)
where:
Base-Base interactions energy: -1071.936
where: short stacking energy: -434.563
Base-Backbone interact. energy: -2.421
local terms energy: -476.487071
where:
bonds (distance) C4'-P energy: -96.640
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -102.430
flat angles P-C4'-P energy: -69.827
tors. eta vs tors. theta energy: -111.653
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: 120
Temperature: 1.000000
Total energy: -1509.927826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.927826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.927826 (E_RNA)
where:
Base-Base interactions energy: -1045.739
where: short stacking energy: -423.411
Base-Backbone interact. energy: -1.844
local terms energy: -462.344875
where:
bonds (distance) C4'-P energy: -90.640
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -61.876
tors. eta vs tors. theta energy: -107.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1482.367718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.367718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.367718 (E_RNA)
where:
Base-Base interactions energy: -1012.158
where: short stacking energy: -435.224
Base-Backbone interact. energy: 2.358
local terms energy: -472.568358
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -87.068
flat angles C4'-P-C4' energy: -98.274
flat angles P-C4'-P energy: -67.734
tors. eta vs tors. theta energy: -122.039
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: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1365.760978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.760978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.760978 (E_RNA)
where:
Base-Base interactions energy: -904.620
where: short stacking energy: -435.996
Base-Backbone interact. energy: 2.017
local terms energy: -463.157889
where:
bonds (distance) C4'-P energy: -88.650
bonds (distance) P-C4' energy: -88.704
flat angles C4'-P-C4' energy: -93.968
flat angles P-C4'-P energy: -64.886
tors. eta vs tors. theta energy: -126.950
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: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1173.988720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.988720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.988720 (E_RNA)
where:
Base-Base interactions energy: -789.069
where: short stacking energy: -329.696
Base-Backbone interact. energy: -1.033
local terms energy: -383.886373
where:
bonds (distance) C4'-P energy: -84.464
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -84.188
flat angles P-C4'-P energy: -47.403
tors. eta vs tors. theta energy: -73.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1046.733727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.733727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.733727 (E_RNA)
where:
Base-Base interactions energy: -666.512
where: short stacking energy: -321.528
Base-Backbone interact. energy: -1.669
local terms energy: -378.552878
where:
bonds (distance) C4'-P energy: -83.603
bonds (distance) P-C4' energy: -91.291
flat angles C4'-P-C4' energy: -72.127
flat angles P-C4'-P energy: -64.594
tors. eta vs tors. theta energy: -66.938
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -915.748581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.748581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.748581 (E_RNA)
where:
Base-Base interactions energy: -600.622
where: short stacking energy: -273.692
Base-Backbone interact. energy: 2.646
local terms energy: -317.772991
where:
bonds (distance) C4'-P energy: -69.570
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -34.096
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -688.425970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.425970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.425970 (E_RNA)
where:
Base-Base interactions energy: -388.301
where: short stacking energy: -179.761
Base-Backbone interact. energy: 0.466
local terms energy: -300.590842
where:
bonds (distance) C4'-P energy: -94.107
bonds (distance) P-C4' energy: -74.629
flat angles C4'-P-C4' energy: -84.934
flat angles P-C4'-P energy: -37.873
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: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -542.076115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.076115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.076115 (E_RNA)
where:
Base-Base interactions energy: -263.295
where: short stacking energy: -144.875
Base-Backbone interact. energy: 0.909
local terms energy: -279.689992
where:
bonds (distance) C4'-P energy: -62.542
bonds (distance) P-C4' energy: -87.639
flat angles C4'-P-C4' energy: -72.781
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: 10.185
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: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1684.315426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.315426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.315426 (E_RNA)
where:
Base-Base interactions energy: -1153.218
where: short stacking energy: -501.790
Base-Backbone interact. energy: -0.894
local terms energy: -530.204226
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -102.131
flat angles C4'-P-C4' energy: -112.376
flat angles P-C4'-P energy: -68.079
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: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1562.279029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.279029 (E_RNA)
where:
Base-Base interactions energy: -1088.790
where: short stacking energy: -458.126
Base-Backbone interact. energy: 0.709
local terms energy: -474.197872
where:
bonds (distance) C4'-P energy: -95.112
bonds (distance) P-C4' energy: -94.231
flat angles C4'-P-C4' energy: -105.465
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -124.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1546.100275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.100275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.100275 (E_RNA)
where:
Base-Base interactions energy: -1072.641
where: short stacking energy: -446.082
Base-Backbone interact. energy: -3.023
local terms energy: -470.436324
where:
bonds (distance) C4'-P energy: -99.092
bonds (distance) P-C4' energy: -88.415
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -120.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1470.945989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.945989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.945989 (E_RNA)
where:
Base-Base interactions energy: -997.788
where: short stacking energy: -432.009
Base-Backbone interact. energy: -1.737
local terms energy: -471.420555
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -100.262
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -121.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1375.321338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.321338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.321338 (E_RNA)
where:
Base-Base interactions energy: -914.685
where: short stacking energy: -426.767
Base-Backbone interact. energy: -0.498
local terms energy: -460.138272
where:
bonds (distance) C4'-P energy: -98.312
bonds (distance) P-C4' energy: -73.789
flat angles C4'-P-C4' energy: -105.590
flat angles P-C4'-P energy: -64.230
tors. eta vs tors. theta energy: -118.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1175.967564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.967564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.967564 (E_RNA)
where:
Base-Base interactions energy: -780.460
where: short stacking energy: -317.194
Base-Backbone interact. energy: -0.915
local terms energy: -394.592604
where:
bonds (distance) C4'-P energy: -89.250
bonds (distance) P-C4' energy: -86.377
flat angles C4'-P-C4' energy: -82.324
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: -77.701
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: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1022.307003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.307003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.307003 (E_RNA)
where:
Base-Base interactions energy: -648.453
where: short stacking energy: -315.281
Base-Backbone interact. energy: -1.329
local terms energy: -372.524313
where:
bonds (distance) C4'-P energy: -75.766
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -57.869
tors. eta vs tors. theta energy: -65.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -908.986337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.986337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.986337 (E_RNA)
where:
Base-Base interactions energy: -551.300
where: short stacking energy: -257.064
Base-Backbone interact. energy: -3.188
local terms energy: -354.498003
where:
bonds (distance) C4'-P energy: -86.502
bonds (distance) P-C4' energy: -86.045
flat angles C4'-P-C4' energy: -94.891
flat angles P-C4'-P energy: -59.443
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -678.308343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.308343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.308343 (E_RNA)
where:
Base-Base interactions energy: -354.565
where: short stacking energy: -172.684
Base-Backbone interact. energy: 1.031
local terms energy: -324.774066
where:
bonds (distance) C4'-P energy: -98.896
bonds (distance) P-C4' energy: -86.185
flat angles C4'-P-C4' energy: -66.084
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -556.651836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.651836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.651836 (E_RNA)
where:
Base-Base interactions energy: -287.337
where: short stacking energy: -173.358
Base-Backbone interact. energy: 3.793
local terms energy: -273.107480
where:
bonds (distance) C4'-P energy: -66.297
bonds (distance) P-C4' energy: -87.456
flat angles C4'-P-C4' energy: -68.027
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1694.048877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.048877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.048877 (E_RNA)
where:
Base-Base interactions energy: -1136.016
where: short stacking energy: -504.908
Base-Backbone interact. energy: -4.965
local terms energy: -553.067433
where:
bonds (distance) C4'-P energy: -90.878
bonds (distance) P-C4' energy: -101.643
flat angles C4'-P-C4' energy: -122.879
flat angles P-C4'-P energy: -83.328
tors. eta vs tors. theta energy: -154.341
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: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1565.123858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.123858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.123858 (E_RNA)
where:
Base-Base interactions energy: -1083.549
where: short stacking energy: -465.370
Base-Backbone interact. energy: -0.193
local terms energy: -481.382593
where:
bonds (distance) C4'-P energy: -97.903
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -103.176
flat angles P-C4'-P energy: -56.033
tors. eta vs tors. theta energy: -131.143
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1499.812365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.812365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.812365 (E_RNA)
where:
Base-Base interactions energy: -1047.618
where: short stacking energy: -428.073
Base-Backbone interact. energy: -2.365
local terms energy: -449.829191
where:
bonds (distance) C4'-P energy: -72.924
bonds (distance) P-C4' energy: -95.478
flat angles C4'-P-C4' energy: -101.277
flat angles P-C4'-P energy: -62.868
tors. eta vs tors. theta energy: -117.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1486.517666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.517666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.517666 (E_RNA)
where:
Base-Base interactions energy: -1003.535
where: short stacking energy: -445.806
Base-Backbone interact. energy: -5.367
local terms energy: -477.616132
where:
bonds (distance) C4'-P energy: -77.652
bonds (distance) P-C4' energy: -104.232
flat angles C4'-P-C4' energy: -110.339
flat angles P-C4'-P energy: -66.321
tors. eta vs tors. theta energy: -119.072
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: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1335.363020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.363020 (E_RNA)
where:
Base-Base interactions energy: -867.928
where: short stacking energy: -410.925
Base-Backbone interact. energy: 0.286
local terms energy: -467.721391
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -80.278
flat angles C4'-P-C4' energy: -100.887
flat angles P-C4'-P energy: -67.817
tors. eta vs tors. theta energy: -130.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1188.472211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.472211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.472211 (E_RNA)
where:
Base-Base interactions energy: -768.227
where: short stacking energy: -351.374
Base-Backbone interact. energy: -2.522
local terms energy: -417.722646
where:
bonds (distance) C4'-P energy: -88.717
bonds (distance) P-C4' energy: -93.491
flat angles C4'-P-C4' energy: -89.287
flat angles P-C4'-P energy: -59.498
tors. eta vs tors. theta energy: -86.729
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -980.026612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.026612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.026612 (E_RNA)
where:
Base-Base interactions energy: -613.484
where: short stacking energy: -296.224
Base-Backbone interact. energy: -1.978
local terms energy: -364.564664
where:
bonds (distance) C4'-P energy: -78.537
bonds (distance) P-C4' energy: -89.216
flat angles C4'-P-C4' energy: -89.459
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -66.310
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: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -942.610901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.610901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.610901 (E_RNA)
where:
Base-Base interactions energy: -598.977
where: short stacking energy: -281.200
Base-Backbone interact. energy: -0.332
local terms energy: -343.302056
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -90.652
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -52.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -673.234594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.234594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.234594 (E_RNA)
where:
Base-Base interactions energy: -368.577
where: short stacking energy: -201.152
Base-Backbone interact. energy: -0.130
local terms energy: -304.527692
where:
bonds (distance) C4'-P energy: -65.443
bonds (distance) P-C4' energy: -86.792
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -507.982806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.982806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.982806 (E_RNA)
where:
Base-Base interactions energy: -253.051
where: short stacking energy: -153.488
Base-Backbone interact. energy: -0.698
local terms energy: -254.234024
where:
bonds (distance) C4'-P energy: -84.590
bonds (distance) P-C4' energy: -80.134
flat angles C4'-P-C4' energy: -66.320
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: 7.514
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: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1671.677303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.677303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.677303 (E_RNA)
where:
Base-Base interactions energy: -1139.582
where: short stacking energy: -496.535
Base-Backbone interact. energy: -1.185
local terms energy: -530.910253
where:
bonds (distance) C4'-P energy: -102.197
bonds (distance) P-C4' energy: -98.851
flat angles C4'-P-C4' energy: -107.783
flat angles P-C4'-P energy: -82.527
tors. eta vs tors. theta energy: -139.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1593.378258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.378258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.378258 (E_RNA)
where:
Base-Base interactions energy: -1104.596
where: short stacking energy: -465.236
Base-Backbone interact. energy: -4.657
local terms energy: -484.125557
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -103.583
flat angles C4'-P-C4' energy: -100.635
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -129.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1541.592418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.592418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.592418 (E_RNA)
where:
Base-Base interactions energy: -1056.709
where: short stacking energy: -438.856
Base-Backbone interact. energy: -2.995
local terms energy: -481.889198
where:
bonds (distance) C4'-P energy: -91.478
bonds (distance) P-C4' energy: -99.792
flat angles C4'-P-C4' energy: -99.772
flat angles P-C4'-P energy: -67.358
tors. eta vs tors. theta energy: -123.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1453.137076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.137076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.137076 (E_RNA)
where:
Base-Base interactions energy: -1001.871
where: short stacking energy: -431.005
Base-Backbone interact. energy: 0.843
local terms energy: -452.108774
where:
bonds (distance) C4'-P energy: -81.748
bonds (distance) P-C4' energy: -92.664
flat angles C4'-P-C4' energy: -93.165
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -116.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1320.517624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.517624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.517624 (E_RNA)
where:
Base-Base interactions energy: -865.797
where: short stacking energy: -418.838
Base-Backbone interact. energy: 0.158
local terms energy: -454.878562
where:
bonds (distance) C4'-P energy: -82.540
bonds (distance) P-C4' energy: -79.863
flat angles C4'-P-C4' energy: -96.110
flat angles P-C4'-P energy: -68.673
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: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1167.092998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.092998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.092998 (E_RNA)
where:
Base-Base interactions energy: -762.677
where: short stacking energy: -339.285
Base-Backbone interact. energy: 4.700
local terms energy: -409.115587
where:
bonds (distance) C4'-P energy: -69.952
bonds (distance) P-C4' energy: -94.169
flat angles C4'-P-C4' energy: -97.058
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -86.225
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: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1029.765714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.765714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.765714 (E_RNA)
where:
Base-Base interactions energy: -646.453
where: short stacking energy: -322.741
Base-Backbone interact. energy: -1.496
local terms energy: -381.816892
where:
bonds (distance) C4'-P energy: -81.116
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -85.559
flat angles P-C4'-P energy: -51.566
tors. eta vs tors. theta energy: -68.342
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: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -897.185880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.185880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.185880 (E_RNA)
where:
Base-Base interactions energy: -567.972
where: short stacking energy: -262.860
Base-Backbone interact. energy: -0.308
local terms energy: -328.905117
where:
bonds (distance) C4'-P energy: -78.353
bonds (distance) P-C4' energy: -78.174
flat angles C4'-P-C4' energy: -74.518
flat angles P-C4'-P energy: -50.621
tors. eta vs tors. theta energy: -47.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -672.166939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.166939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.166939 (E_RNA)
where:
Base-Base interactions energy: -359.013
where: short stacking energy: -184.927
Base-Backbone interact. energy: 2.025
local terms energy: -315.179338
where:
bonds (distance) C4'-P energy: -74.686
bonds (distance) P-C4' energy: -77.167
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -53.046
tors. eta vs tors. theta energy: -26.421
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: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -493.432570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.432570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.432570 (E_RNA)
where:
Base-Base interactions energy: -255.334
where: short stacking energy: -142.253
Base-Backbone interact. energy: 4.796
local terms energy: -242.894408
where:
bonds (distance) C4'-P energy: -66.085
bonds (distance) P-C4' energy: -85.711
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: 0.326
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: 124
Temperature: 0.900000
Total energy: -1693.974405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.974405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.974405 (E_RNA)
where:
Base-Base interactions energy: -1159.271
where: short stacking energy: -506.901
Base-Backbone interact. energy: 2.365
local terms energy: -537.068187
where:
bonds (distance) C4'-P energy: -93.345
bonds (distance) P-C4' energy: -102.147
flat angles C4'-P-C4' energy: -115.814
flat angles P-C4'-P energy: -75.012
tors. eta vs tors. theta energy: -150.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1610.153355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.153355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.153355 (E_RNA)
where:
Base-Base interactions energy: -1118.960
where: short stacking energy: -461.738
Base-Backbone interact. energy: 3.308
local terms energy: -494.501083
where:
bonds (distance) C4'-P energy: -92.242
bonds (distance) P-C4' energy: -92.563
flat angles C4'-P-C4' energy: -118.087
flat angles P-C4'-P energy: -71.871
tors. eta vs tors. theta energy: -119.738
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: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1553.310399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.310399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.310399 (E_RNA)
where:
Base-Base interactions energy: -1056.671
where: short stacking energy: -453.775
Base-Backbone interact. energy: -3.809
local terms energy: -492.830646
where:
bonds (distance) C4'-P energy: -97.678
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -93.318
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -127.611
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: 124
Temperature: 1.050000
Total energy: -1491.896771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.896771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.896771 (E_RNA)
where:
Base-Base interactions energy: -1012.483
where: short stacking energy: -444.433
Base-Backbone interact. energy: -0.378
local terms energy: -479.036238
where:
bonds (distance) C4'-P energy: -84.113
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -106.295
flat angles P-C4'-P energy: -61.922
tors. eta vs tors. theta energy: -133.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1208.184206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.184206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.184206 (E_RNA)
where:
Base-Base interactions energy: -788.321
where: short stacking energy: -363.477
Base-Backbone interact. energy: -4.155
local terms energy: -415.708218
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -101.186
flat angles C4'-P-C4' energy: -90.845
flat angles P-C4'-P energy: -64.417
tors. eta vs tors. theta energy: -93.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1302.888725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.888725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.888725 (E_RNA)
where:
Base-Base interactions energy: -876.326
where: short stacking energy: -405.731
Base-Backbone interact. energy: -2.103
local terms energy: -424.460415
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -68.166
flat angles C4'-P-C4' energy: -99.034
flat angles P-C4'-P energy: -59.804
tors. eta vs tors. theta energy: -108.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1006.322291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.322291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.322291 (E_RNA)
where:
Base-Base interactions energy: -618.012
where: short stacking energy: -307.179
Base-Backbone interact. energy: -2.507
local terms energy: -385.802487
where:
bonds (distance) C4'-P energy: -87.050
bonds (distance) P-C4' energy: -83.283
flat angles C4'-P-C4' energy: -89.269
flat angles P-C4'-P energy: -64.314
tors. eta vs tors. theta energy: -61.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -931.838667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.838667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.838667 (E_RNA)
where:
Base-Base interactions energy: -602.133
where: short stacking energy: -283.252
Base-Backbone interact. energy: 1.362
local terms energy: -331.067289
where:
bonds (distance) C4'-P energy: -78.143
bonds (distance) P-C4' energy: -93.539
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -38.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -531.415865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.415865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.415865 (E_RNA)
where:
Base-Base interactions energy: -244.861
where: short stacking energy: -154.440
Base-Backbone interact. energy: 3.142
local terms energy: -289.697038
where:
bonds (distance) C4'-P energy: -81.127
bonds (distance) P-C4' energy: -97.452
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -661.351588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.351588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.351588 (E_RNA)
where:
Base-Base interactions energy: -371.773
where: short stacking energy: -160.333
Base-Backbone interact. energy: -0.230
local terms energy: -289.348731
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -97.770
flat angles C4'-P-C4' energy: -75.539
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -11.923
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: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1670.986359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.986359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.986359 (E_RNA)
where:
Base-Base interactions energy: -1152.042
where: short stacking energy: -521.730
Base-Backbone interact. energy: -2.855
local terms energy: -516.089739
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -95.668
flat angles C4'-P-C4' energy: -103.840
flat angles P-C4'-P energy: -70.403
tors. eta vs tors. theta energy: -152.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1561.056222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.056222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.056222 (E_RNA)
where:
Base-Base interactions energy: -1072.478
where: short stacking energy: -461.939
Base-Backbone interact. energy: 1.021
local terms energy: -489.599206
where:
bonds (distance) C4'-P energy: -99.955
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -100.478
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -124.930
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: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1542.666303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.666303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.666303 (E_RNA)
where:
Base-Base interactions energy: -1047.596
where: short stacking energy: -433.792
Base-Backbone interact. energy: 1.091
local terms energy: -496.161353
where:
bonds (distance) C4'-P energy: -101.780
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -108.160
flat angles P-C4'-P energy: -82.093
tors. eta vs tors. theta energy: -108.733
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1466.847593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.847593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.847593 (E_RNA)
where:
Base-Base interactions energy: -996.249
where: short stacking energy: -430.311
Base-Backbone interact. energy: -1.705
local terms energy: -468.893471
where:
bonds (distance) C4'-P energy: -80.742
bonds (distance) P-C4' energy: -93.346
flat angles C4'-P-C4' energy: -102.924
flat angles P-C4'-P energy: -64.993
tors. eta vs tors. theta energy: -126.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1308.251452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.251452 (E_RNA)
where:
Base-Base interactions energy: -875.319
where: short stacking energy: -382.898
Base-Backbone interact. energy: 0.581
local terms energy: -433.513260
where:
bonds (distance) C4'-P energy: -82.683
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -98.955
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: -95.936
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1292.447716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.447716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.447716 (E_RNA)
where:
Base-Base interactions energy: -865.500
where: short stacking energy: -410.068
Base-Backbone interact. energy: -3.473
local terms energy: -423.474605
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -85.644
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -58.501
tors. eta vs tors. theta energy: -103.666
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: 125
Temperature: 1.200000
Total energy: -964.875547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.875547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.875547 (E_RNA)
where:
Base-Base interactions energy: -637.144
where: short stacking energy: -270.263
Base-Backbone interact. energy: 0.681
local terms energy: -328.412372
where:
bonds (distance) C4'-P energy: -74.443
bonds (distance) P-C4' energy: -85.109
flat angles C4'-P-C4' energy: -64.149
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -49.576
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: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -899.444652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.444652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.444652 (E_RNA)
where:
Base-Base interactions energy: -559.706
where: short stacking energy: -272.844
Base-Backbone interact. energy: 1.041
local terms energy: -340.779516
where:
bonds (distance) C4'-P energy: -83.715
bonds (distance) P-C4' energy: -88.438
flat angles C4'-P-C4' energy: -82.298
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -31.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -526.175907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.175907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.175907 (E_RNA)
where:
Base-Base interactions energy: -227.848
where: short stacking energy: -143.075
Base-Backbone interact. energy: -2.205
local terms energy: -296.122972
where:
bonds (distance) C4'-P energy: -82.913
bonds (distance) P-C4' energy: -88.702
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -657.863733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.863733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.863733 (E_RNA)
where:
Base-Base interactions energy: -386.331
where: short stacking energy: -183.332
Base-Backbone interact. energy: 2.885
local terms energy: -274.417954
where:
bonds (distance) C4'-P energy: -61.882
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -57.654
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1668.746910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.746910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.746910 (E_RNA)
where:
Base-Base interactions energy: -1144.730
where: short stacking energy: -487.277
Base-Backbone interact. energy: -3.285
local terms energy: -520.731854
where:
bonds (distance) C4'-P energy: -92.370
bonds (distance) P-C4' energy: -105.659
flat angles C4'-P-C4' energy: -112.442
flat angles P-C4'-P energy: -70.392
tors. eta vs tors. theta energy: -139.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1598.621420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.621420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.621420 (E_RNA)
where:
Base-Base interactions energy: -1087.371
where: short stacking energy: -452.767
Base-Backbone interact. energy: -2.649
local terms energy: -508.601550
where:
bonds (distance) C4'-P energy: -103.560
bonds (distance) P-C4' energy: -112.393
flat angles C4'-P-C4' energy: -110.881
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -121.409
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: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1529.918542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.918542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.918542 (E_RNA)
where:
Base-Base interactions energy: -1037.607
where: short stacking energy: -465.016
Base-Backbone interact. energy: -2.546
local terms energy: -489.766440
where:
bonds (distance) C4'-P energy: -84.984
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -104.382
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: -137.311
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: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1478.352452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.352452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.352452 (E_RNA)
where:
Base-Base interactions energy: -1009.184
where: short stacking energy: -421.695
Base-Backbone interact. energy: -1.628
local terms energy: -467.540177
where:
bonds (distance) C4'-P energy: -88.082
bonds (distance) P-C4' energy: -100.003
flat angles C4'-P-C4' energy: -94.534
flat angles P-C4'-P energy: -72.936
tors. eta vs tors. theta energy: -111.987
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1340.815621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.815621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.815621 (E_RNA)
where:
Base-Base interactions energy: -902.914
where: short stacking energy: -398.309
Base-Backbone interact. energy: 0.331
local terms energy: -438.232607
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -99.648
flat angles C4'-P-C4' energy: -98.518
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: -93.021
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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1304.466579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.466579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.466579 (E_RNA)
where:
Base-Base interactions energy: -874.581
where: short stacking energy: -405.437
Base-Backbone interact. energy: -3.228
local terms energy: -426.658171
where:
bonds (distance) C4'-P energy: -79.027
bonds (distance) P-C4' energy: -78.433
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -115.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1010.676053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.676053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.676053 (E_RNA)
where:
Base-Base interactions energy: -623.835
where: short stacking energy: -309.957
Base-Backbone interact. energy: -1.391
local terms energy: -385.449909
where:
bonds (distance) C4'-P energy: -101.653
bonds (distance) P-C4' energy: -78.699
flat angles C4'-P-C4' energy: -79.505
flat angles P-C4'-P energy: -60.100
tors. eta vs tors. theta energy: -65.494
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: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -912.183531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.183531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.183531 (E_RNA)
where:
Base-Base interactions energy: -557.581
where: short stacking energy: -265.485
Base-Backbone interact. energy: -1.726
local terms energy: -352.876682
where:
bonds (distance) C4'-P energy: -77.792
bonds (distance) P-C4' energy: -83.905
flat angles C4'-P-C4' energy: -80.477
flat angles P-C4'-P energy: -59.902
tors. eta vs tors. theta energy: -50.802
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: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -685.492898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.492898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.492898 (E_RNA)
where:
Base-Base interactions energy: -392.649
where: short stacking energy: -192.732
Base-Backbone interact. energy: 0.294
local terms energy: -293.137042
where:
bonds (distance) C4'-P energy: -73.994
bonds (distance) P-C4' energy: -77.748
flat angles C4'-P-C4' energy: -82.194
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -19.035
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: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -492.784550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.784550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.784550 (E_RNA)
where:
Base-Base interactions energy: -230.676
where: short stacking energy: -160.884
Base-Backbone interact. energy: -1.977
local terms energy: -260.131004
where:
bonds (distance) C4'-P energy: -78.364
bonds (distance) P-C4' energy: -77.918
flat angles C4'-P-C4' energy: -79.194
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: 2.851
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: 127
Temperature: 0.900000
Total energy: -1676.356407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.356407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.356407 (E_RNA)
where:
Base-Base interactions energy: -1148.407
where: short stacking energy: -496.453
Base-Backbone interact. energy: 4.728
local terms energy: -532.678307
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -103.205
flat angles C4'-P-C4' energy: -111.852
flat angles P-C4'-P energy: -74.459
tors. eta vs tors. theta energy: -142.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1587.863908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.863908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.863908 (E_RNA)
where:
Base-Base interactions energy: -1106.777
where: short stacking energy: -449.523
Base-Backbone interact. energy: -3.714
local terms energy: -477.372970
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -85.040
flat angles C4'-P-C4' energy: -105.457
flat angles P-C4'-P energy: -70.830
tors. eta vs tors. theta energy: -123.654
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: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1554.076842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.076842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.076842 (E_RNA)
where:
Base-Base interactions energy: -1082.550
where: short stacking energy: -461.702
Base-Backbone interact. energy: -2.224
local terms energy: -469.303257
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -97.344
flat angles P-C4'-P energy: -65.364
tors. eta vs tors. theta energy: -134.343
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: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1469.405683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.405683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.405683 (E_RNA)
where:
Base-Base interactions energy: -1018.924
where: short stacking energy: -401.807
Base-Backbone interact. energy: -3.264
local terms energy: -447.217560
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -85.145
flat angles C4'-P-C4' energy: -104.243
flat angles P-C4'-P energy: -61.933
tors. eta vs tors. theta energy: -102.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1380.465322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.465322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.465322 (E_RNA)
where:
Base-Base interactions energy: -931.578
where: short stacking energy: -408.018
Base-Backbone interact. energy: 2.026
local terms energy: -450.913001
where:
bonds (distance) C4'-P energy: -89.325
bonds (distance) P-C4' energy: -89.116
flat angles C4'-P-C4' energy: -96.115
flat angles P-C4'-P energy: -69.906
tors. eta vs tors. theta energy: -106.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1356.768139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.768139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.768139 (E_RNA)
where:
Base-Base interactions energy: -915.611
where: short stacking energy: -430.200
Base-Backbone interact. energy: -2.365
local terms energy: -438.791824
where:
bonds (distance) C4'-P energy: -64.132
bonds (distance) P-C4' energy: -87.118
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -73.201
tors. eta vs tors. theta energy: -113.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1036.408596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.408596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.408596 (E_RNA)
where:
Base-Base interactions energy: -655.908
where: short stacking energy: -328.938
Base-Backbone interact. energy: -1.485
local terms energy: -379.016412
where:
bonds (distance) C4'-P energy: -88.909
bonds (distance) P-C4' energy: -91.609
flat angles C4'-P-C4' energy: -79.569
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -63.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -919.612264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.612264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.612264 (E_RNA)
where:
Base-Base interactions energy: -551.779
where: short stacking energy: -267.115
Base-Backbone interact. energy: -1.189
local terms energy: -366.644885
where:
bonds (distance) C4'-P energy: -79.314
bonds (distance) P-C4' energy: -80.217
flat angles C4'-P-C4' energy: -89.829
flat angles P-C4'-P energy: -51.757
tors. eta vs tors. theta energy: -65.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -771.345878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.345878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.345878 (E_RNA)
where:
Base-Base interactions energy: -438.676
where: short stacking energy: -227.053
Base-Backbone interact. energy: 6.389
local terms energy: -339.058840
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -79.216
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -40.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -486.066993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.066993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.066993 (E_RNA)
where:
Base-Base interactions energy: -203.554
where: short stacking energy: -139.882
Base-Backbone interact. energy: -0.931
local terms energy: -281.581588
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -64.240
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -9.469
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: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1716.458764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.458764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.458764 (E_RNA)
where:
Base-Base interactions energy: -1172.412
where: short stacking energy: -479.607
Base-Backbone interact. energy: -1.602
local terms energy: -542.445624
where:
bonds (distance) C4'-P energy: -105.057
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -106.670
flat angles P-C4'-P energy: -85.680
tors. eta vs tors. theta energy: -134.382
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1581.602535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.602535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.602535 (E_RNA)
where:
Base-Base interactions energy: -1101.192
where: short stacking energy: -466.493
Base-Backbone interact. energy: -0.898
local terms energy: -479.512516
where:
bonds (distance) C4'-P energy: -95.083
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -67.037
tors. eta vs tors. theta energy: -121.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1573.220068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.220068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.220068 (E_RNA)
where:
Base-Base interactions energy: -1056.543
where: short stacking energy: -458.942
Base-Backbone interact. energy: -6.117
local terms energy: -510.560050
where:
bonds (distance) C4'-P energy: -88.775
bonds (distance) P-C4' energy: -88.673
flat angles C4'-P-C4' energy: -109.070
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -145.909
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: 128
Temperature: 1.050000
Total energy: -1434.518135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.518135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.518135 (E_RNA)
where:
Base-Base interactions energy: -992.470
where: short stacking energy: -411.032
Base-Backbone interact. energy: 1.507
local terms energy: -443.554982
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -101.505
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -64.807
tors. eta vs tors. theta energy: -103.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1357.147078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.147078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.147078 (E_RNA)
where:
Base-Base interactions energy: -930.768
where: short stacking energy: -419.915
Base-Backbone interact. energy: -2.729
local terms energy: -423.650270
where:
bonds (distance) C4'-P energy: -75.640
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -93.297
flat angles P-C4'-P energy: -63.422
tors. eta vs tors. theta energy: -101.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1368.004167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.004167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.004167 (E_RNA)
where:
Base-Base interactions energy: -916.826
where: short stacking energy: -410.683
Base-Backbone interact. energy: 0.140
local terms energy: -451.317840
where:
bonds (distance) C4'-P energy: -80.166
bonds (distance) P-C4' energy: -96.654
flat angles C4'-P-C4' energy: -99.295
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -123.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1043.685043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.685043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.685043 (E_RNA)
where:
Base-Base interactions energy: -672.013
where: short stacking energy: -309.028
Base-Backbone interact. energy: 1.549
local terms energy: -373.221336
where:
bonds (distance) C4'-P energy: -90.029
bonds (distance) P-C4' energy: -86.693
flat angles C4'-P-C4' energy: -95.064
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -50.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -925.038467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.038467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.038467 (E_RNA)
where:
Base-Base interactions energy: -572.461
where: short stacking energy: -271.480
Base-Backbone interact. energy: 1.107
local terms energy: -353.684261
where:
bonds (distance) C4'-P energy: -81.733
bonds (distance) P-C4' energy: -73.617
flat angles C4'-P-C4' energy: -83.774
flat angles P-C4'-P energy: -63.393
tors. eta vs tors. theta energy: -51.167
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: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -780.683683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.683683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.683683 (E_RNA)
where:
Base-Base interactions energy: -476.425
where: short stacking energy: -236.624
Base-Backbone interact. energy: 0.326
local terms energy: -304.585155
where:
bonds (distance) C4'-P energy: -76.582
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -76.629
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -510.701059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.701059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.701059 (E_RNA)
where:
Base-Base interactions energy: -230.964
where: short stacking energy: -159.394
Base-Backbone interact. energy: 2.478
local terms energy: -282.214605
where:
bonds (distance) C4'-P energy: -72.884
bonds (distance) P-C4' energy: -92.644
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -2.873
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: 129
Temperature: 0.900000
Total energy: -1678.523217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.523217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.523217 (E_RNA)
where:
Base-Base interactions energy: -1162.875
where: short stacking energy: -501.727
Base-Backbone interact. energy: -0.059
local terms energy: -515.589852
where:
bonds (distance) C4'-P energy: -93.470
bonds (distance) P-C4' energy: -101.066
flat angles C4'-P-C4' energy: -114.618
flat angles P-C4'-P energy: -63.862
tors. eta vs tors. theta energy: -142.574
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: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1577.283749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.283749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.283749 (E_RNA)
where:
Base-Base interactions energy: -1074.227
where: short stacking energy: -469.722
Base-Backbone interact. energy: 1.750
local terms energy: -504.806428
where:
bonds (distance) C4'-P energy: -95.492
bonds (distance) P-C4' energy: -95.958
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -77.823
tors. eta vs tors. theta energy: -124.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1533.720932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.720932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.720932 (E_RNA)
where:
Base-Base interactions energy: -1044.650
where: short stacking energy: -444.921
Base-Backbone interact. energy: -2.182
local terms energy: -486.888550
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -104.285
flat angles P-C4'-P energy: -61.498
tors. eta vs tors. theta energy: -130.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1411.960015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.960015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.960015 (E_RNA)
where:
Base-Base interactions energy: -974.783
where: short stacking energy: -408.160
Base-Backbone interact. energy: -0.581
local terms energy: -436.596064
where:
bonds (distance) C4'-P energy: -81.907
bonds (distance) P-C4' energy: -90.657
flat angles C4'-P-C4' energy: -97.639
flat angles P-C4'-P energy: -69.896
tors. eta vs tors. theta energy: -96.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1401.951455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.951455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.951455 (E_RNA)
where:
Base-Base interactions energy: -964.473
where: short stacking energy: -401.245
Base-Backbone interact. energy: -2.277
local terms energy: -435.201266
where:
bonds (distance) C4'-P energy: -83.416
bonds (distance) P-C4' energy: -93.777
flat angles C4'-P-C4' energy: -93.676
flat angles P-C4'-P energy: -65.243
tors. eta vs tors. theta energy: -99.089
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: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1356.826908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.826908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.826908 (E_RNA)
where:
Base-Base interactions energy: -903.605
where: short stacking energy: -436.782
Base-Backbone interact. energy: -0.991
local terms energy: -452.230707
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -93.081
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -122.232
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: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1101.188345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.188345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.188345 (E_RNA)
where:
Base-Base interactions energy: -712.202
where: short stacking energy: -328.980
Base-Backbone interact. energy: -0.781
local terms energy: -388.204697
where:
bonds (distance) C4'-P energy: -86.288
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -85.353
flat angles P-C4'-P energy: -52.834
tors. eta vs tors. theta energy: -71.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -886.899879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.899879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.899879 (E_RNA)
where:
Base-Base interactions energy: -563.828
where: short stacking energy: -256.039
Base-Backbone interact. energy: -1.892
local terms energy: -321.179961
where:
bonds (distance) C4'-P energy: -75.685
bonds (distance) P-C4' energy: -83.803
flat angles C4'-P-C4' energy: -77.292
flat angles P-C4'-P energy: -46.358
tors. eta vs tors. theta energy: -38.042
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: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -839.908596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.908596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.908596 (E_RNA)
where:
Base-Base interactions energy: -533.628
where: short stacking energy: -237.980
Base-Backbone interact. energy: 1.864
local terms energy: -308.144751
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -78.956
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -495.352414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.352414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.352414 (E_RNA)
where:
Base-Base interactions energy: -243.263
where: short stacking energy: -126.582
Base-Backbone interact. energy: 1.151
local terms energy: -253.240164
where:
bonds (distance) C4'-P energy: -72.119
bonds (distance) P-C4' energy: -84.411
flat angles C4'-P-C4' energy: -64.216
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: 8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1682.277300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.277300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.277300 (E_RNA)
where:
Base-Base interactions energy: -1133.316
where: short stacking energy: -502.572
Base-Backbone interact. energy: -1.757
local terms energy: -547.203908
where:
bonds (distance) C4'-P energy: -106.640
bonds (distance) P-C4' energy: -114.472
flat angles C4'-P-C4' energy: -106.377
flat angles P-C4'-P energy: -72.544
tors. eta vs tors. theta energy: -147.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1567.024370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.024370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.024370 (E_RNA)
where:
Base-Base interactions energy: -1049.030
where: short stacking energy: -473.981
Base-Backbone interact. energy: -2.217
local terms energy: -515.777978
where:
bonds (distance) C4'-P energy: -95.458
bonds (distance) P-C4' energy: -98.390
flat angles C4'-P-C4' energy: -114.642
flat angles P-C4'-P energy: -55.247
tors. eta vs tors. theta energy: -152.041
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1510.466040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.466040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.466040 (E_RNA)
where:
Base-Base interactions energy: -1044.838
where: short stacking energy: -428.621
Base-Backbone interact. energy: -1.682
local terms energy: -463.946385
where:
bonds (distance) C4'-P energy: -100.535
bonds (distance) P-C4' energy: -87.974
flat angles C4'-P-C4' energy: -101.153
flat angles P-C4'-P energy: -59.596
tors. eta vs tors. theta energy: -114.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1429.455397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.455397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.455397 (E_RNA)
where:
Base-Base interactions energy: -976.321
where: short stacking energy: -435.000
Base-Backbone interact. energy: -2.378
local terms energy: -450.755929
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -80.797
flat angles C4'-P-C4' energy: -105.062
flat angles P-C4'-P energy: -62.396
tors. eta vs tors. theta energy: -117.235
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1440.340209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.340209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.340209 (E_RNA)
where:
Base-Base interactions energy: -992.676
where: short stacking energy: -396.406
Base-Backbone interact. energy: -1.543
local terms energy: -446.120830
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -87.847
flat angles C4'-P-C4' energy: -104.461
flat angles P-C4'-P energy: -60.056
tors. eta vs tors. theta energy: -105.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1350.625369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.625369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.625369 (E_RNA)
where:
Base-Base interactions energy: -876.178
where: short stacking energy: -405.020
Base-Backbone interact. energy: -0.967
local terms energy: -473.480065
where:
bonds (distance) C4'-P energy: -89.168
bonds (distance) P-C4' energy: -84.474
flat angles C4'-P-C4' energy: -107.373
flat angles P-C4'-P energy: -67.786
tors. eta vs tors. theta energy: -124.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1019.771231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.771231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.771231 (E_RNA)
where:
Base-Base interactions energy: -641.438
where: short stacking energy: -315.356
Base-Backbone interact. energy: 0.326
local terms energy: -378.659081
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -80.252
flat angles P-C4'-P energy: -61.702
tors. eta vs tors. theta energy: -70.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1030.407715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.407715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.407715 (E_RNA)
where:
Base-Base interactions energy: -689.107
where: short stacking energy: -288.078
Base-Backbone interact. energy: -1.649
local terms energy: -339.651750
where:
bonds (distance) C4'-P energy: -73.662
bonds (distance) P-C4' energy: -84.787
flat angles C4'-P-C4' energy: -74.345
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -53.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -822.204649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.204649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.204649 (E_RNA)
where:
Base-Base interactions energy: -505.916
where: short stacking energy: -236.056
Base-Backbone interact. energy: -2.575
local terms energy: -313.713604
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -92.032
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -23.774
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: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -409.812649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.812649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.812649 (E_RNA)
where:
Base-Base interactions energy: -152.399
where: short stacking energy: -87.779
Base-Backbone interact. energy: -1.878
local terms energy: -255.535609
where:
bonds (distance) C4'-P energy: -81.206
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: 28.385
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: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1701.563838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.563838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.563838 (E_RNA)
where:
Base-Base interactions energy: -1173.963
where: short stacking energy: -485.962
Base-Backbone interact. energy: -1.501
local terms energy: -526.099798
where:
bonds (distance) C4'-P energy: -91.550
bonds (distance) P-C4' energy: -104.385
flat angles C4'-P-C4' energy: -112.583
flat angles P-C4'-P energy: -67.435
tors. eta vs tors. theta energy: -150.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1574.101266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.101266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.101266 (E_RNA)
where:
Base-Base interactions energy: -1073.739
where: short stacking energy: -453.057
Base-Backbone interact. energy: -3.793
local terms energy: -496.569431
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -99.767
flat angles C4'-P-C4' energy: -109.137
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -126.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1533.807112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.807112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.807112 (E_RNA)
where:
Base-Base interactions energy: -1059.322
where: short stacking energy: -441.930
Base-Backbone interact. energy: 0.706
local terms energy: -475.191589
where:
bonds (distance) C4'-P energy: -92.303
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -124.788
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: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1428.271766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.271766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.271766 (E_RNA)
where:
Base-Base interactions energy: -984.120
where: short stacking energy: -418.367
Base-Backbone interact. energy: -1.230
local terms energy: -442.921823
where:
bonds (distance) C4'-P energy: -86.734
bonds (distance) P-C4' energy: -92.298
flat angles C4'-P-C4' energy: -90.208
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -112.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1362.345710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.345710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.345710 (E_RNA)
where:
Base-Base interactions energy: -920.506
where: short stacking energy: -415.653
Base-Backbone interact. energy: -1.262
local terms energy: -440.577543
where:
bonds (distance) C4'-P energy: -67.465
bonds (distance) P-C4' energy: -100.790
flat angles C4'-P-C4' energy: -93.928
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -111.136
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: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1355.139745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.139745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.139745 (E_RNA)
where:
Base-Base interactions energy: -888.941
where: short stacking energy: -432.381
Base-Backbone interact. energy: -0.727
local terms energy: -465.471459
where:
bonds (distance) C4'-P energy: -86.308
bonds (distance) P-C4' energy: -79.378
flat angles C4'-P-C4' energy: -99.993
flat angles P-C4'-P energy: -66.459
tors. eta vs tors. theta energy: -133.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1028.557460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.557460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.557460 (E_RNA)
where:
Base-Base interactions energy: -651.015
where: short stacking energy: -306.121
Base-Backbone interact. energy: -2.871
local terms energy: -374.671042
where:
bonds (distance) C4'-P energy: -76.340
bonds (distance) P-C4' energy: -84.369
flat angles C4'-P-C4' energy: -83.389
flat angles P-C4'-P energy: -59.403
tors. eta vs tors. theta energy: -71.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1070.947396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.947396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.947396 (E_RNA)
where:
Base-Base interactions energy: -700.064
where: short stacking energy: -308.220
Base-Backbone interact. energy: -2.831
local terms energy: -368.052827
where:
bonds (distance) C4'-P energy: -69.690
bonds (distance) P-C4' energy: -86.883
flat angles C4'-P-C4' energy: -95.183
flat angles P-C4'-P energy: -54.187
tors. eta vs tors. theta energy: -62.110
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: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -806.146723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.146723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.146723 (E_RNA)
where:
Base-Base interactions energy: -496.443
where: short stacking energy: -224.544
Base-Backbone interact. energy: 0.741
local terms energy: -310.444548
where:
bonds (distance) C4'-P energy: -68.000
bonds (distance) P-C4' energy: -85.345
flat angles C4'-P-C4' energy: -80.186
flat angles P-C4'-P energy: -41.080
tors. eta vs tors. theta energy: -35.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -410.219665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.219665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.219665 (E_RNA)
where:
Base-Base interactions energy: -164.781
where: short stacking energy: -125.026
Base-Backbone interact. energy: 2.878
local terms energy: -248.316796
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -36.402
tors. eta vs tors. theta energy: 14.465
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: 132
Temperature: 0.900000
Total energy: -1701.904939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.904939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.904939 (E_RNA)
where:
Base-Base interactions energy: -1172.124
where: short stacking energy: -514.217
Base-Backbone interact. energy: -2.729
local terms energy: -527.051536
where:
bonds (distance) C4'-P energy: -86.557
bonds (distance) P-C4' energy: -104.606
flat angles C4'-P-C4' energy: -115.295
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -145.911
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: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1572.596036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.596036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.596036 (E_RNA)
where:
Base-Base interactions energy: -1074.587
where: short stacking energy: -460.310
Base-Backbone interact. energy: -4.422
local terms energy: -493.587021
where:
bonds (distance) C4'-P energy: -92.215
bonds (distance) P-C4' energy: -94.922
flat angles C4'-P-C4' energy: -103.163
flat angles P-C4'-P energy: -67.474
tors. eta vs tors. theta energy: -135.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1546.839050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.839050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.839050 (E_RNA)
where:
Base-Base interactions energy: -1075.697
where: short stacking energy: -444.126
Base-Backbone interact. energy: 0.324
local terms energy: -471.466463
where:
bonds (distance) C4'-P energy: -98.269
bonds (distance) P-C4' energy: -85.929
flat angles C4'-P-C4' energy: -107.935
flat angles P-C4'-P energy: -56.557
tors. eta vs tors. theta energy: -122.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1462.595305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.595305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.595305 (E_RNA)
where:
Base-Base interactions energy: -1000.968
where: short stacking energy: -401.948
Base-Backbone interact. energy: -1.813
local terms energy: -459.814669
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -90.178
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -102.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1401.637702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.637702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.637702 (E_RNA)
where:
Base-Base interactions energy: -957.786
where: short stacking energy: -412.669
Base-Backbone interact. energy: 1.133
local terms energy: -444.984919
where:
bonds (distance) C4'-P energy: -81.408
bonds (distance) P-C4' energy: -91.022
flat angles C4'-P-C4' energy: -101.589
flat angles P-C4'-P energy: -49.017
tors. eta vs tors. theta energy: -121.950
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1339.699114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.699114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.699114 (E_RNA)
where:
Base-Base interactions energy: -866.537
where: short stacking energy: -401.453
Base-Backbone interact. energy: 1.640
local terms energy: -474.801496
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -98.577
flat angles C4'-P-C4' energy: -103.010
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -111.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1095.888059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.888059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.888059 (E_RNA)
where:
Base-Base interactions energy: -703.198
where: short stacking energy: -333.796
Base-Backbone interact. energy: 0.202
local terms energy: -392.891320
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -80.910
flat angles C4'-P-C4' energy: -80.363
flat angles P-C4'-P energy: -66.604
tors. eta vs tors. theta energy: -78.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1035.994531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.994531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.994531 (E_RNA)
where:
Base-Base interactions energy: -669.007
where: short stacking energy: -313.183
Base-Backbone interact. energy: -1.779
local terms energy: -365.208736
where:
bonds (distance) C4'-P energy: -67.313
bonds (distance) P-C4' energy: -91.182
flat angles C4'-P-C4' energy: -74.897
flat angles P-C4'-P energy: -57.528
tors. eta vs tors. theta energy: -74.288
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -809.743471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.743471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.743471 (E_RNA)
where:
Base-Base interactions energy: -480.003
where: short stacking energy: -226.552
Base-Backbone interact. energy: 1.769
local terms energy: -331.509425
where:
bonds (distance) C4'-P energy: -87.737
bonds (distance) P-C4' energy: -88.754
flat angles C4'-P-C4' energy: -79.281
flat angles P-C4'-P energy: -34.064
tors. eta vs tors. theta energy: -41.672
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -438.868194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.868194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.868194 (E_RNA)
where:
Base-Base interactions energy: -206.025
where: short stacking energy: -118.950
Base-Backbone interact. energy: -1.115
local terms energy: -231.729055
where:
bonds (distance) C4'-P energy: -73.405
bonds (distance) P-C4' energy: -79.720
flat angles C4'-P-C4' energy: -71.137
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: 30.014
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: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1700.822626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.822626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.822626 (E_RNA)
where:
Base-Base interactions energy: -1183.288
where: short stacking energy: -504.131
Base-Backbone interact. energy: -2.578
local terms energy: -514.957448
where:
bonds (distance) C4'-P energy: -83.089
bonds (distance) P-C4' energy: -101.609
flat angles C4'-P-C4' energy: -113.189
flat angles P-C4'-P energy: -72.503
tors. eta vs tors. theta energy: -144.568
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: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1542.202753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.202753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.202753 (E_RNA)
where:
Base-Base interactions energy: -1055.088
where: short stacking energy: -461.342
Base-Backbone interact. energy: -4.073
local terms energy: -483.042387
where:
bonds (distance) C4'-P energy: -100.593
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -105.639
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: -120.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1489.584072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.584072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.584072 (E_RNA)
where:
Base-Base interactions energy: -1036.355
where: short stacking energy: -431.301
Base-Backbone interact. energy: -1.433
local terms energy: -451.795825
where:
bonds (distance) C4'-P energy: -67.224
bonds (distance) P-C4' energy: -83.136
flat angles C4'-P-C4' energy: -105.664
flat angles P-C4'-P energy: -68.747
tors. eta vs tors. theta energy: -127.025
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: 133
Temperature: 1.050000
Total energy: -1463.184132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.184132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.184132 (E_RNA)
where:
Base-Base interactions energy: -1018.319
where: short stacking energy: -436.616
Base-Backbone interact. energy: -2.328
local terms energy: -442.537557
where:
bonds (distance) C4'-P energy: -84.425
bonds (distance) P-C4' energy: -92.060
flat angles C4'-P-C4' energy: -88.376
flat angles P-C4'-P energy: -60.547
tors. eta vs tors. theta energy: -117.129
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: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1415.155189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.155189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.155189 (E_RNA)
where:
Base-Base interactions energy: -951.854
where: short stacking energy: -377.392
Base-Backbone interact. energy: -2.350
local terms energy: -460.950953
where:
bonds (distance) C4'-P energy: -86.811
bonds (distance) P-C4' energy: -100.106
flat angles C4'-P-C4' energy: -96.824
flat angles P-C4'-P energy: -66.589
tors. eta vs tors. theta energy: -110.621
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: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1317.620092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.620092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.620092 (E_RNA)
where:
Base-Base interactions energy: -868.033
where: short stacking energy: -407.820
Base-Backbone interact. energy: 1.158
local terms energy: -450.745106
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -94.225
flat angles C4'-P-C4' energy: -91.626
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -120.547
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: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1105.188171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.188171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.188171 (E_RNA)
where:
Base-Base interactions energy: -708.044
where: short stacking energy: -327.487
Base-Backbone interact. energy: -2.307
local terms energy: -394.837180
where:
bonds (distance) C4'-P energy: -91.042
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -91.099
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -74.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -987.599361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.599361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.599361 (E_RNA)
where:
Base-Base interactions energy: -624.406
where: short stacking energy: -295.440
Base-Backbone interact. energy: -0.702
local terms energy: -362.491406
where:
bonds (distance) C4'-P energy: -88.521
bonds (distance) P-C4' energy: -73.457
flat angles C4'-P-C4' energy: -83.066
flat angles P-C4'-P energy: -59.630
tors. eta vs tors. theta energy: -57.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -781.422081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.422081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.422081 (E_RNA)
where:
Base-Base interactions energy: -484.036
where: short stacking energy: -218.226
Base-Backbone interact. energy: 1.023
local terms energy: -298.408455
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -77.971
flat angles C4'-P-C4' energy: -81.304
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -23.875
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: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -506.287843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.287843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.287843 (E_RNA)
where:
Base-Base interactions energy: -247.793
where: short stacking energy: -135.554
Base-Backbone interact. energy: 3.862
local terms energy: -262.356417
where:
bonds (distance) C4'-P energy: -72.378
bonds (distance) P-C4' energy: -77.453
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: 4.454
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: 134
Temperature: 0.900000
Total energy: -1694.835926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.835926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.835926 (E_RNA)
where:
Base-Base interactions energy: -1161.655
where: short stacking energy: -512.428
Base-Backbone interact. energy: -1.434
local terms energy: -531.746708
where:
bonds (distance) C4'-P energy: -93.347
bonds (distance) P-C4' energy: -95.011
flat angles C4'-P-C4' energy: -115.157
flat angles P-C4'-P energy: -70.671
tors. eta vs tors. theta energy: -157.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1591.501127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.501127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.501127 (E_RNA)
where:
Base-Base interactions energy: -1083.610
where: short stacking energy: -479.147
Base-Backbone interact. energy: -0.180
local terms energy: -507.710873
where:
bonds (distance) C4'-P energy: -93.315
bonds (distance) P-C4' energy: -101.305
flat angles C4'-P-C4' energy: -114.745
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -137.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1525.445241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.445241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.445241 (E_RNA)
where:
Base-Base interactions energy: -1065.151
where: short stacking energy: -472.901
Base-Backbone interact. energy: 0.959
local terms energy: -461.253254
where:
bonds (distance) C4'-P energy: -80.912
bonds (distance) P-C4' energy: -94.905
flat angles C4'-P-C4' energy: -108.738
flat angles P-C4'-P energy: -59.013
tors. eta vs tors. theta energy: -117.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1476.214992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.214992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.214992 (E_RNA)
where:
Base-Base interactions energy: -1011.970
where: short stacking energy: -423.024
Base-Backbone interact. energy: -2.561
local terms energy: -461.683633
where:
bonds (distance) C4'-P energy: -104.325
bonds (distance) P-C4' energy: -79.994
flat angles C4'-P-C4' energy: -90.724
flat angles P-C4'-P energy: -69.210
tors. eta vs tors. theta energy: -117.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1408.406183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.406183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.406183 (E_RNA)
where:
Base-Base interactions energy: -960.485
where: short stacking energy: -404.964
Base-Backbone interact. energy: 3.845
local terms energy: -451.765655
where:
bonds (distance) C4'-P energy: -91.438
bonds (distance) P-C4' energy: -89.372
flat angles C4'-P-C4' energy: -99.008
flat angles P-C4'-P energy: -58.097
tors. eta vs tors. theta energy: -113.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1325.984002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.984002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.984002 (E_RNA)
where:
Base-Base interactions energy: -891.960
where: short stacking energy: -386.905
Base-Backbone interact. energy: -1.929
local terms energy: -432.094891
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -98.612
flat angles C4'-P-C4' energy: -93.942
flat angles P-C4'-P energy: -61.226
tors. eta vs tors. theta energy: -116.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1040.627270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.627270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.627270 (E_RNA)
where:
Base-Base interactions energy: -661.743
where: short stacking energy: -327.543
Base-Backbone interact. energy: 1.806
local terms energy: -380.689828
where:
bonds (distance) C4'-P energy: -77.633
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -93.710
flat angles P-C4'-P energy: -51.870
tors. eta vs tors. theta energy: -64.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -919.595011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.595011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.595011 (E_RNA)
where:
Base-Base interactions energy: -590.702
where: short stacking energy: -289.015
Base-Backbone interact. energy: -0.745
local terms energy: -328.148251
where:
bonds (distance) C4'-P energy: -73.524
bonds (distance) P-C4' energy: -84.651
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -57.346
tors. eta vs tors. theta energy: -47.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -770.186979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.186979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.186979 (E_RNA)
where:
Base-Base interactions energy: -465.006
where: short stacking energy: -235.777
Base-Backbone interact. energy: 1.880
local terms energy: -307.061417
where:
bonds (distance) C4'-P energy: -68.202
bonds (distance) P-C4' energy: -78.912
flat angles C4'-P-C4' energy: -82.163
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -34.650
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: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -431.793477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.793477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.793477 (E_RNA)
where:
Base-Base interactions energy: -173.734
where: short stacking energy: -121.275
Base-Backbone interact. energy: 2.124
local terms energy: -260.183891
where:
bonds (distance) C4'-P energy: -78.486
bonds (distance) P-C4' energy: -81.937
flat angles C4'-P-C4' energy: -73.608
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: 22.742
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: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1708.167172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.167172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.167172 (E_RNA)
where:
Base-Base interactions energy: -1199.260
where: short stacking energy: -507.963
Base-Backbone interact. energy: -1.487
local terms energy: -507.420065
where:
bonds (distance) C4'-P energy: -95.870
bonds (distance) P-C4' energy: -96.013
flat angles C4'-P-C4' energy: -105.180
flat angles P-C4'-P energy: -70.012
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: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1605.792165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.792165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.792165 (E_RNA)
where:
Base-Base interactions energy: -1090.764
where: short stacking energy: -487.925
Base-Backbone interact. energy: -4.415
local terms energy: -510.613515
where:
bonds (distance) C4'-P energy: -81.296
bonds (distance) P-C4' energy: -98.532
flat angles C4'-P-C4' energy: -113.944
flat angles P-C4'-P energy: -72.025
tors. eta vs tors. theta energy: -144.816
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: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1543.374426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.374426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.374426 (E_RNA)
where:
Base-Base interactions energy: -1090.943
where: short stacking energy: -442.277
Base-Backbone interact. energy: 1.364
local terms energy: -453.795858
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -91.465
flat angles C4'-P-C4' energy: -93.684
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -113.111
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: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1425.393891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.393891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.393891 (E_RNA)
where:
Base-Base interactions energy: -988.286
where: short stacking energy: -418.639
Base-Backbone interact. energy: -2.160
local terms energy: -434.948604
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -99.919
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -112.393
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: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1425.858605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.858605 (E_RNA)
where:
Base-Base interactions energy: -966.835
where: short stacking energy: -421.631
Base-Backbone interact. energy: 1.171
local terms energy: -460.195121
where:
bonds (distance) C4'-P energy: -94.409
bonds (distance) P-C4' energy: -92.061
flat angles C4'-P-C4' energy: -100.091
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -110.492
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: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1341.799743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.799743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.799743 (E_RNA)
where:
Base-Base interactions energy: -902.026
where: short stacking energy: -392.656
Base-Backbone interact. energy: -3.162
local terms energy: -436.611961
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -89.198
flat angles C4'-P-C4' energy: -101.686
flat angles P-C4'-P energy: -57.288
tors. eta vs tors. theta energy: -106.002
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: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1042.105103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.105103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.105103 (E_RNA)
where:
Base-Base interactions energy: -677.463
where: short stacking energy: -321.155
Base-Backbone interact. energy: -0.899
local terms energy: -363.742797
where:
bonds (distance) C4'-P energy: -78.330
bonds (distance) P-C4' energy: -88.219
flat angles C4'-P-C4' energy: -64.260
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -62.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -919.800291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.800291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.800291 (E_RNA)
where:
Base-Base interactions energy: -566.482
where: short stacking energy: -252.172
Base-Backbone interact. energy: 0.212
local terms energy: -353.530578
where:
bonds (distance) C4'-P energy: -84.032
bonds (distance) P-C4' energy: -85.409
flat angles C4'-P-C4' energy: -90.303
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -777.206890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.206890 (E_RNA)
where:
Base-Base interactions energy: -490.285
where: short stacking energy: -223.784
Base-Backbone interact. energy: 2.232
local terms energy: -289.153288
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -398.160108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.160108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.160108 (E_RNA)
where:
Base-Base interactions energy: -141.092
where: short stacking energy: -118.032
Base-Backbone interact. energy: 3.365
local terms energy: -260.432953
where:
bonds (distance) C4'-P energy: -89.884
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -58.243
flat angles P-C4'-P energy: -42.360
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: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1717.857017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.857017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.857017 (E_RNA)
where:
Base-Base interactions energy: -1186.869
where: short stacking energy: -511.098
Base-Backbone interact. energy: -2.644
local terms energy: -528.344461
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -111.904
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: -143.786
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: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1613.133378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.133378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.133378 (E_RNA)
where:
Base-Base interactions energy: -1104.207
where: short stacking energy: -485.272
Base-Backbone interact. energy: -0.301
local terms energy: -508.624851
where:
bonds (distance) C4'-P energy: -87.456
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -106.719
flat angles P-C4'-P energy: -64.995
tors. eta vs tors. theta energy: -143.133
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: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1498.670450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.670450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.670450 (E_RNA)
where:
Base-Base interactions energy: -1016.951
where: short stacking energy: -429.011
Base-Backbone interact. energy: -2.255
local terms energy: -479.464572
where:
bonds (distance) C4'-P energy: -94.028
bonds (distance) P-C4' energy: -91.532
flat angles C4'-P-C4' energy: -106.700
flat angles P-C4'-P energy: -76.656
tors. eta vs tors. theta energy: -110.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1451.244926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.244926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.244926 (E_RNA)
where:
Base-Base interactions energy: -984.310
where: short stacking energy: -427.737
Base-Backbone interact. energy: -1.737
local terms energy: -465.198556
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -91.503
flat angles C4'-P-C4' energy: -100.701
flat angles P-C4'-P energy: -65.457
tors. eta vs tors. theta energy: -115.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1424.787009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.787009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.787009 (E_RNA)
where:
Base-Base interactions energy: -985.784
where: short stacking energy: -435.564
Base-Backbone interact. energy: 1.836
local terms energy: -440.839416
where:
bonds (distance) C4'-P energy: -78.960
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -92.247
flat angles P-C4'-P energy: -63.600
tors. eta vs tors. theta energy: -126.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1383.539887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.539887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.539887 (E_RNA)
where:
Base-Base interactions energy: -944.569
where: short stacking energy: -406.898
Base-Backbone interact. energy: 0.545
local terms energy: -439.515889
where:
bonds (distance) C4'-P energy: -86.319
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -68.090
tors. eta vs tors. theta energy: -116.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1040.951230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.951230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.951230 (E_RNA)
where:
Base-Base interactions energy: -651.479
where: short stacking energy: -317.881
Base-Backbone interact. energy: 2.390
local terms energy: -391.861504
where:
bonds (distance) C4'-P energy: -88.976
bonds (distance) P-C4' energy: -94.476
flat angles C4'-P-C4' energy: -86.107
flat angles P-C4'-P energy: -55.492
tors. eta vs tors. theta energy: -66.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -974.696089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.696089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.696089 (E_RNA)
where:
Base-Base interactions energy: -615.325
where: short stacking energy: -284.996
Base-Backbone interact. energy: -1.194
local terms energy: -358.176343
where:
bonds (distance) C4'-P energy: -96.615
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -90.598
flat angles P-C4'-P energy: -45.493
tors. eta vs tors. theta energy: -50.150
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -822.698875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.698875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.698875 (E_RNA)
where:
Base-Base interactions energy: -517.242
where: short stacking energy: -253.828
Base-Backbone interact. energy: 3.303
local terms energy: -308.760357
where:
bonds (distance) C4'-P energy: -54.871
bonds (distance) P-C4' energy: -88.422
flat angles C4'-P-C4' energy: -85.688
flat angles P-C4'-P energy: -37.565
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -437.250428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.250428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.250428 (E_RNA)
where:
Base-Base interactions energy: -169.537
where: short stacking energy: -107.706
Base-Backbone interact. energy: 1.158
local terms energy: -268.871615
where:
bonds (distance) C4'-P energy: -87.340
bonds (distance) P-C4' energy: -85.042
flat angles C4'-P-C4' energy: -76.351
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: 20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1723.907599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.907599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.907599 (E_RNA)
where:
Base-Base interactions energy: -1203.365
where: short stacking energy: -501.828
Base-Backbone interact. energy: -3.678
local terms energy: -516.864970
where:
bonds (distance) C4'-P energy: -102.694
bonds (distance) P-C4' energy: -96.248
flat angles C4'-P-C4' energy: -104.724
flat angles P-C4'-P energy: -75.987
tors. eta vs tors. theta energy: -137.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1606.934846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.934846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.934846 (E_RNA)
where:
Base-Base interactions energy: -1094.311
where: short stacking energy: -472.237
Base-Backbone interact. energy: -3.177
local terms energy: -509.446373
where:
bonds (distance) C4'-P energy: -83.748
bonds (distance) P-C4' energy: -91.286
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -80.392
tors. eta vs tors. theta energy: -136.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1529.996982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.996982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.996982 (E_RNA)
where:
Base-Base interactions energy: -1046.299
where: short stacking energy: -433.146
Base-Backbone interact. energy: -0.060
local terms energy: -483.638051
where:
bonds (distance) C4'-P energy: -108.577
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -104.707
flat angles P-C4'-P energy: -59.586
tors. eta vs tors. theta energy: -115.093
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1478.999342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.999342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.999342 (E_RNA)
where:
Base-Base interactions energy: -1005.450
where: short stacking energy: -440.113
Base-Backbone interact. energy: 0.317
local terms energy: -473.866453
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -105.540
flat angles C4'-P-C4' energy: -102.033
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -119.739
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: 137
Temperature: 1.100000
Total energy: -1451.610845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.610845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.610845 (E_RNA)
where:
Base-Base interactions energy: -996.871
where: short stacking energy: -427.174
Base-Backbone interact. energy: 1.413
local terms energy: -456.152753
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -98.524
flat angles C4'-P-C4' energy: -95.448
flat angles P-C4'-P energy: -57.342
tors. eta vs tors. theta energy: -120.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1341.282699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.282699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.282699 (E_RNA)
where:
Base-Base interactions energy: -924.215
where: short stacking energy: -396.930
Base-Backbone interact. energy: -0.157
local terms energy: -416.910025
where:
bonds (distance) C4'-P energy: -84.825
bonds (distance) P-C4' energy: -83.041
flat angles C4'-P-C4' energy: -88.529
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -106.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1016.483554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.483554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.483554 (E_RNA)
where:
Base-Base interactions energy: -636.445
where: short stacking energy: -300.481
Base-Backbone interact. energy: 0.720
local terms energy: -380.758537
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -89.200
flat angles C4'-P-C4' energy: -91.341
flat angles P-C4'-P energy: -60.582
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -900.463283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.463283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.463283 (E_RNA)
where:
Base-Base interactions energy: -563.178
where: short stacking energy: -248.627
Base-Backbone interact. energy: 1.426
local terms energy: -338.711294
where:
bonds (distance) C4'-P energy: -84.601
bonds (distance) P-C4' energy: -88.956
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -25.745
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: 137
Temperature: 1.300000
Total energy: -837.843604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.843604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.843604 (E_RNA)
where:
Base-Base interactions energy: -529.768
where: short stacking energy: -242.583
Base-Backbone interact. energy: 4.910
local terms energy: -312.985715
where:
bonds (distance) C4'-P energy: -68.021
bonds (distance) P-C4' energy: -77.034
flat angles C4'-P-C4' energy: -80.818
flat angles P-C4'-P energy: -66.027
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -402.606693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.606693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.606693 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -138.201
Base-Backbone interact. energy: -0.980
local terms energy: -251.746637
where:
bonds (distance) C4'-P energy: -89.436
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -3.419
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: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1739.446069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.446069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.446069 (E_RNA)
where:
Base-Base interactions energy: -1205.340
where: short stacking energy: -510.789
Base-Backbone interact. energy: -3.659
local terms energy: -530.446576
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -99.819
flat angles C4'-P-C4' energy: -112.345
flat angles P-C4'-P energy: -78.701
tors. eta vs tors. theta energy: -148.949
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: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1639.709770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.709770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.709770 (E_RNA)
where:
Base-Base interactions energy: -1138.578
where: short stacking energy: -482.411
Base-Backbone interact. energy: -3.174
local terms energy: -497.957509
where:
bonds (distance) C4'-P energy: -107.751
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -100.295
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -138.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1522.354995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.354995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.354995 (E_RNA)
where:
Base-Base interactions energy: -1043.362
where: short stacking energy: -438.366
Base-Backbone interact. energy: -0.537
local terms energy: -478.455760
where:
bonds (distance) C4'-P energy: -86.958
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -98.487
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -118.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1503.345033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.345033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.345033 (E_RNA)
where:
Base-Base interactions energy: -1056.881
where: short stacking energy: -429.011
Base-Backbone interact. energy: 1.077
local terms energy: -447.541072
where:
bonds (distance) C4'-P energy: -81.199
bonds (distance) P-C4' energy: -84.267
flat angles C4'-P-C4' energy: -91.462
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: -117.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1411.593133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.593133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.593133 (E_RNA)
where:
Base-Base interactions energy: -981.475
where: short stacking energy: -409.377
Base-Backbone interact. energy: 2.123
local terms energy: -432.241347
where:
bonds (distance) C4'-P energy: -81.557
bonds (distance) P-C4' energy: -86.330
flat angles C4'-P-C4' energy: -103.161
flat angles P-C4'-P energy: -56.434
tors. eta vs tors. theta energy: -104.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1290.867322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.867322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.867322 (E_RNA)
where:
Base-Base interactions energy: -845.874
where: short stacking energy: -362.854
Base-Backbone interact. energy: -2.228
local terms energy: -442.765391
where:
bonds (distance) C4'-P energy: -90.081
bonds (distance) P-C4' energy: -102.762
flat angles C4'-P-C4' energy: -86.717
flat angles P-C4'-P energy: -57.484
tors. eta vs tors. theta energy: -105.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1067.465698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.465698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.465698 (E_RNA)
where:
Base-Base interactions energy: -714.730
where: short stacking energy: -340.303
Base-Backbone interact. energy: -1.602
local terms energy: -351.133337
where:
bonds (distance) C4'-P energy: -78.900
bonds (distance) P-C4' energy: -83.700
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -75.784
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: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -927.620020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.620020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.620020 (E_RNA)
where:
Base-Base interactions energy: -566.101
where: short stacking energy: -250.876
Base-Backbone interact. energy: 1.279
local terms energy: -362.798352
where:
bonds (distance) C4'-P energy: -96.303
bonds (distance) P-C4' energy: -80.837
flat angles C4'-P-C4' energy: -88.941
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -38.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -799.788454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.788454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.788454 (E_RNA)
where:
Base-Base interactions energy: -482.668
where: short stacking energy: -208.922
Base-Backbone interact. energy: -1.834
local terms energy: -315.286915
where:
bonds (distance) C4'-P energy: -81.157
bonds (distance) P-C4' energy: -90.959
flat angles C4'-P-C4' energy: -72.224
flat angles P-C4'-P energy: -51.762
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -435.220099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.220099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.220099 (E_RNA)
where:
Base-Base interactions energy: -188.539
where: short stacking energy: -139.576
Base-Backbone interact. energy: 0.591
local terms energy: -247.271747
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: 12.882
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: 139
Temperature: 0.900000
Total energy: -1734.105131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.105131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.105131 (E_RNA)
where:
Base-Base interactions energy: -1237.151
where: short stacking energy: -508.956
Base-Backbone interact. energy: -1.841
local terms energy: -495.113196
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -87.940
flat angles C4'-P-C4' energy: -107.658
flat angles P-C4'-P energy: -72.397
tors. eta vs tors. theta energy: -143.190
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1610.358377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.358377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.358377 (E_RNA)
where:
Base-Base interactions energy: -1091.608
where: short stacking energy: -482.279
Base-Backbone interact. energy: -0.861
local terms energy: -517.889757
where:
bonds (distance) C4'-P energy: -94.433
bonds (distance) P-C4' energy: -98.188
flat angles C4'-P-C4' energy: -112.720
flat angles P-C4'-P energy: -70.018
tors. eta vs tors. theta energy: -142.531
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: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1521.098192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.098192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.098192 (E_RNA)
where:
Base-Base interactions energy: -1066.742
where: short stacking energy: -459.793
Base-Backbone interact. energy: 2.242
local terms energy: -456.598335
where:
bonds (distance) C4'-P energy: -87.615
bonds (distance) P-C4' energy: -90.921
flat angles C4'-P-C4' energy: -97.455
flat angles P-C4'-P energy: -64.494
tors. eta vs tors. theta energy: -116.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1469.003770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.003770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.003770 (E_RNA)
where:
Base-Base interactions energy: -1033.486
where: short stacking energy: -415.059
Base-Backbone interact. energy: -0.564
local terms energy: -434.953919
where:
bonds (distance) C4'-P energy: -82.104
bonds (distance) P-C4' energy: -91.397
flat angles C4'-P-C4' energy: -97.073
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -97.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1361.963439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.963439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.963439 (E_RNA)
where:
Base-Base interactions energy: -914.848
where: short stacking energy: -416.798
Base-Backbone interact. energy: 2.622
local terms energy: -449.737682
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -97.758
flat angles P-C4'-P energy: -66.714
tors. eta vs tors. theta energy: -106.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1269.792590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.792590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.792590 (E_RNA)
where:
Base-Base interactions energy: -834.513
where: short stacking energy: -374.937
Base-Backbone interact. energy: -3.113
local terms energy: -432.166573
where:
bonds (distance) C4'-P energy: -66.110
bonds (distance) P-C4' energy: -98.005
flat angles C4'-P-C4' energy: -84.331
flat angles P-C4'-P energy: -72.964
tors. eta vs tors. theta energy: -110.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1072.608354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.608354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.608354 (E_RNA)
where:
Base-Base interactions energy: -698.911
where: short stacking energy: -344.420
Base-Backbone interact. energy: -0.964
local terms energy: -372.733225
where:
bonds (distance) C4'-P energy: -77.099
bonds (distance) P-C4' energy: -89.172
flat angles C4'-P-C4' energy: -77.282
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -74.146
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: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -919.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.979516 (E_RNA)
where:
Base-Base interactions energy: -567.271
where: short stacking energy: -267.346
Base-Backbone interact. energy: 1.970
local terms energy: -354.678988
where:
bonds (distance) C4'-P energy: -69.987
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -83.555
flat angles P-C4'-P energy: -57.698
tors. eta vs tors. theta energy: -46.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -807.165019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.165019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.165019 (E_RNA)
where:
Base-Base interactions energy: -497.364
where: short stacking energy: -227.630
Base-Backbone interact. energy: -0.864
local terms energy: -308.936921
where:
bonds (distance) C4'-P energy: -82.504
bonds (distance) P-C4' energy: -91.441
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -32.190
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: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -431.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.469713 (E_RNA)
where:
Base-Base interactions energy: -188.576
where: short stacking energy: -138.647
Base-Backbone interact. energy: -1.044
local terms energy: -241.850180
where:
bonds (distance) C4'-P energy: -67.726
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: 2.412
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: 140
Temperature: 0.900000
Total energy: -1732.054717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.054717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.054717 (E_RNA)
where:
Base-Base interactions energy: -1224.946
where: short stacking energy: -532.864
Base-Backbone interact. energy: -3.665
local terms energy: -503.442912
where:
bonds (distance) C4'-P energy: -90.697
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -102.355
flat angles P-C4'-P energy: -77.338
tors. eta vs tors. theta energy: -139.435
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: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1608.559791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.559791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.559791 (E_RNA)
where:
Base-Base interactions energy: -1094.299
where: short stacking energy: -465.201
Base-Backbone interact. energy: -4.579
local terms energy: -509.682007
where:
bonds (distance) C4'-P energy: -106.073
bonds (distance) P-C4' energy: -104.117
flat angles C4'-P-C4' energy: -114.927
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -131.100
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: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1545.830310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.830310 (E_RNA)
where:
Base-Base interactions energy: -1049.363
where: short stacking energy: -461.069
Base-Backbone interact. energy: -2.713
local terms energy: -493.753852
where:
bonds (distance) C4'-P energy: -91.680
bonds (distance) P-C4' energy: -98.191
flat angles C4'-P-C4' energy: -101.996
flat angles P-C4'-P energy: -66.952
tors. eta vs tors. theta energy: -134.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1476.500397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.500397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.500397 (E_RNA)
where:
Base-Base interactions energy: -1014.484
where: short stacking energy: -417.423
Base-Backbone interact. energy: -4.068
local terms energy: -457.948511
where:
bonds (distance) C4'-P energy: -90.694
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -96.184
flat angles P-C4'-P energy: -62.791
tors. eta vs tors. theta energy: -112.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1362.671992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.671992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.671992 (E_RNA)
where:
Base-Base interactions energy: -923.175
where: short stacking energy: -406.405
Base-Backbone interact. energy: -2.330
local terms energy: -437.166882
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -76.202
flat angles C4'-P-C4' energy: -111.450
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -109.519
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: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1302.379341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.379341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.379341 (E_RNA)
where:
Base-Base interactions energy: -884.122
where: short stacking energy: -389.741
Base-Backbone interact. energy: -1.266
local terms energy: -416.990768
where:
bonds (distance) C4'-P energy: -90.420
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -89.570
flat angles P-C4'-P energy: -56.105
tors. eta vs tors. theta energy: -94.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -955.860075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.860075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.860075 (E_RNA)
where:
Base-Base interactions energy: -604.576
where: short stacking energy: -292.900
Base-Backbone interact. energy: -1.550
local terms energy: -349.734623
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -84.320
flat angles C4'-P-C4' energy: -83.160
flat angles P-C4'-P energy: -55.629
tors. eta vs tors. theta energy: -56.261
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1006.188997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.188997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.188997 (E_RNA)
where:
Base-Base interactions energy: -640.043
where: short stacking energy: -296.580
Base-Backbone interact. energy: -1.963
local terms energy: -364.182696
where:
bonds (distance) C4'-P energy: -83.015
bonds (distance) P-C4' energy: -82.442
flat angles C4'-P-C4' energy: -91.920
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -811.543817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.543817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.543817 (E_RNA)
where:
Base-Base interactions energy: -500.976
where: short stacking energy: -228.022
Base-Backbone interact. energy: 0.065
local terms energy: -310.633499
where:
bonds (distance) C4'-P energy: -75.835
bonds (distance) P-C4' energy: -81.498
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -25.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -475.943097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.943097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.943097 (E_RNA)
where:
Base-Base interactions energy: -207.371
where: short stacking energy: -132.279
Base-Backbone interact. energy: 1.803
local terms energy: -270.375190
where:
bonds (distance) C4'-P energy: -90.466
bonds (distance) P-C4' energy: -88.983
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: 16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1750.853922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.853922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.853922 (E_RNA)
where:
Base-Base interactions energy: -1216.358
where: short stacking energy: -540.960
Base-Backbone interact. energy: -3.563
local terms energy: -530.933241
where:
bonds (distance) C4'-P energy: -89.053
bonds (distance) P-C4' energy: -104.349
flat angles C4'-P-C4' energy: -117.108
flat angles P-C4'-P energy: -80.316
tors. eta vs tors. theta energy: -140.107
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: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1571.818411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.818411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.818411 (E_RNA)
where:
Base-Base interactions energy: -1074.176
where: short stacking energy: -434.892
Base-Backbone interact. energy: -2.116
local terms energy: -495.526254
where:
bonds (distance) C4'-P energy: -99.763
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -114.441
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: -127.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1557.879404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.879404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.879404 (E_RNA)
where:
Base-Base interactions energy: -1072.660
where: short stacking energy: -464.803
Base-Backbone interact. energy: -1.392
local terms energy: -483.827064
where:
bonds (distance) C4'-P energy: -104.031
bonds (distance) P-C4' energy: -90.347
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -59.029
tors. eta vs tors. theta energy: -119.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1515.176198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.176198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.176198 (E_RNA)
where:
Base-Base interactions energy: -1052.843
where: short stacking energy: -423.045
Base-Backbone interact. energy: -1.514
local terms energy: -460.818817
where:
bonds (distance) C4'-P energy: -91.257
bonds (distance) P-C4' energy: -91.835
flat angles C4'-P-C4' energy: -93.197
flat angles P-C4'-P energy: -70.559
tors. eta vs tors. theta energy: -113.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1359.320087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.320087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.320087 (E_RNA)
where:
Base-Base interactions energy: -885.333
where: short stacking energy: -396.878
Base-Backbone interact. energy: -1.475
local terms energy: -472.511473
where:
bonds (distance) C4'-P energy: -94.914
bonds (distance) P-C4' energy: -91.502
flat angles C4'-P-C4' energy: -103.966
flat angles P-C4'-P energy: -67.025
tors. eta vs tors. theta energy: -115.104
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: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1266.276190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.276190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.276190 (E_RNA)
where:
Base-Base interactions energy: -857.314
where: short stacking energy: -356.916
Base-Backbone interact. energy: -0.940
local terms energy: -408.022037
where:
bonds (distance) C4'-P energy: -81.814
bonds (distance) P-C4' energy: -80.918
flat angles C4'-P-C4' energy: -102.712
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -93.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1014.860297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.860297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.860297 (E_RNA)
where:
Base-Base interactions energy: -635.524
where: short stacking energy: -273.435
Base-Backbone interact. energy: -0.940
local terms energy: -378.395592
where:
bonds (distance) C4'-P energy: -94.811
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -85.908
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -52.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -967.912168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.912168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.912168 (E_RNA)
where:
Base-Base interactions energy: -621.270
where: short stacking energy: -274.769
Base-Backbone interact. energy: -1.615
local terms energy: -345.026628
where:
bonds (distance) C4'-P energy: -80.151
bonds (distance) P-C4' energy: -89.156
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -795.300850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.300850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.300850 (E_RNA)
where:
Base-Base interactions energy: -497.293
where: short stacking energy: -230.624
Base-Backbone interact. energy: -2.017
local terms energy: -295.991328
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -84.621
flat angles C4'-P-C4' energy: -79.953
flat angles P-C4'-P energy: -49.005
tors. eta vs tors. theta energy: -16.864
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -409.412022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.412022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.412022 (E_RNA)
where:
Base-Base interactions energy: -176.773
where: short stacking energy: -128.288
Base-Backbone interact. energy: 5.957
local terms energy: -238.595748
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -69.272
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: 13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1744.232203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.232203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.232203 (E_RNA)
where:
Base-Base interactions energy: -1217.871
where: short stacking energy: -520.402
Base-Backbone interact. energy: -1.423
local terms energy: -524.937641
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -104.251
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -76.825
tors. eta vs tors. theta energy: -139.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1598.037238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.037238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.037238 (E_RNA)
where:
Base-Base interactions energy: -1086.682
where: short stacking energy: -487.869
Base-Backbone interact. energy: -2.950
local terms energy: -508.404923
where:
bonds (distance) C4'-P energy: -86.561
bonds (distance) P-C4' energy: -96.340
flat angles C4'-P-C4' energy: -113.704
flat angles P-C4'-P energy: -70.426
tors. eta vs tors. theta energy: -141.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1498.622897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.622897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.622897 (E_RNA)
where:
Base-Base interactions energy: -1035.526
where: short stacking energy: -413.706
Base-Backbone interact. energy: -1.293
local terms energy: -461.804449
where:
bonds (distance) C4'-P energy: -94.461
bonds (distance) P-C4' energy: -102.643
flat angles C4'-P-C4' energy: -98.140
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -108.134
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: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1495.460608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.460608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.460608 (E_RNA)
where:
Base-Base interactions energy: -1031.059
where: short stacking energy: -423.925
Base-Backbone interact. energy: -0.396
local terms energy: -464.005397
where:
bonds (distance) C4'-P energy: -86.763
bonds (distance) P-C4' energy: -85.085
flat angles C4'-P-C4' energy: -108.187
flat angles P-C4'-P energy: -74.589
tors. eta vs tors. theta energy: -109.382
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: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1344.717589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.717589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.717589 (E_RNA)
where:
Base-Base interactions energy: -902.491
where: short stacking energy: -413.360
Base-Backbone interact. energy: -2.140
local terms energy: -440.086575
where:
bonds (distance) C4'-P energy: -75.498
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -96.033
flat angles P-C4'-P energy: -62.595
tors. eta vs tors. theta energy: -123.694
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: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1272.318947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.318947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.318947 (E_RNA)
where:
Base-Base interactions energy: -854.866
where: short stacking energy: -367.917
Base-Backbone interact. energy: -1.338
local terms energy: -416.114582
where:
bonds (distance) C4'-P energy: -77.761
bonds (distance) P-C4' energy: -96.260
flat angles C4'-P-C4' energy: -93.688
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: -92.895
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1072.385574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.385574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.385574 (E_RNA)
where:
Base-Base interactions energy: -713.280
where: short stacking energy: -346.679
Base-Backbone interact. energy: 0.000
local terms energy: -359.105576
where:
bonds (distance) C4'-P energy: -74.327
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -85.748
flat angles P-C4'-P energy: -53.843
tors. eta vs tors. theta energy: -71.989
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: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1054.962360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.962360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.962360 (E_RNA)
where:
Base-Base interactions energy: -678.391
where: short stacking energy: -330.863
Base-Backbone interact. energy: -0.183
local terms energy: -376.388481
where:
bonds (distance) C4'-P energy: -74.528
bonds (distance) P-C4' energy: -83.017
flat angles C4'-P-C4' energy: -93.517
flat angles P-C4'-P energy: -47.209
tors. eta vs tors. theta energy: -78.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -762.156466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.156466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.156466 (E_RNA)
where:
Base-Base interactions energy: -460.498
where: short stacking energy: -219.173
Base-Backbone interact. energy: -2.064
local terms energy: -299.594710
where:
bonds (distance) C4'-P energy: -72.362
bonds (distance) P-C4' energy: -89.035
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -397.877245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.877245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.877245 (E_RNA)
where:
Base-Base interactions energy: -148.130
where: short stacking energy: -114.229
Base-Backbone interact. energy: 4.631
local terms energy: -254.377769
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -90.755
flat angles C4'-P-C4' energy: -72.750
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: 20.179
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: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1726.071482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.071482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.071482 (E_RNA)
where:
Base-Base interactions energy: -1182.944
where: short stacking energy: -482.397
Base-Backbone interact. energy: -2.792
local terms energy: -540.334884
where:
bonds (distance) C4'-P energy: -101.550
bonds (distance) P-C4' energy: -111.553
flat angles C4'-P-C4' energy: -103.370
flat angles P-C4'-P energy: -82.087
tors. eta vs tors. theta energy: -141.775
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: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1601.573030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.573030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.573030 (E_RNA)
where:
Base-Base interactions energy: -1105.843
where: short stacking energy: -468.849
Base-Backbone interact. energy: -3.106
local terms energy: -492.623484
where:
bonds (distance) C4'-P energy: -85.680
bonds (distance) P-C4' energy: -89.285
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -133.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1524.308893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.308893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.308893 (E_RNA)
where:
Base-Base interactions energy: -1045.025
where: short stacking energy: -438.876
Base-Backbone interact. energy: -3.195
local terms energy: -476.088930
where:
bonds (distance) C4'-P energy: -84.699
bonds (distance) P-C4' energy: -93.956
flat angles C4'-P-C4' energy: -104.684
flat angles P-C4'-P energy: -67.697
tors. eta vs tors. theta energy: -125.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1507.452292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.452292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.452292 (E_RNA)
where:
Base-Base interactions energy: -1039.974
where: short stacking energy: -429.372
Base-Backbone interact. energy: -5.532
local terms energy: -461.945810
where:
bonds (distance) C4'-P energy: -93.037
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -104.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1407.289777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.289777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.289777 (E_RNA)
where:
Base-Base interactions energy: -915.761
where: short stacking energy: -437.922
Base-Backbone interact. energy: -1.983
local terms energy: -489.545573
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -102.983
flat angles P-C4'-P energy: -69.350
tors. eta vs tors. theta energy: -130.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1277.145929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.145929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.145929 (E_RNA)
where:
Base-Base interactions energy: -884.114
where: short stacking energy: -390.573
Base-Backbone interact. energy: -1.563
local terms energy: -391.469264
where:
bonds (distance) C4'-P energy: -86.909
bonds (distance) P-C4' energy: -81.073
flat angles C4'-P-C4' energy: -81.224
flat angles P-C4'-P energy: -53.192
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: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1145.552311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.552311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.552311 (E_RNA)
where:
Base-Base interactions energy: -753.948
where: short stacking energy: -355.612
Base-Backbone interact. energy: 0.139
local terms energy: -391.743772
where:
bonds (distance) C4'-P energy: -71.508
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -95.874
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -81.537
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: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1065.275656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.275656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.275656 (E_RNA)
where:
Base-Base interactions energy: -691.135
where: short stacking energy: -299.076
Base-Backbone interact. energy: -0.017
local terms energy: -374.123494
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -91.819
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -54.126
tors. eta vs tors. theta energy: -77.425
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: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -715.588634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.588634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.588634 (E_RNA)
where:
Base-Base interactions energy: -392.541
where: short stacking energy: -193.102
Base-Backbone interact. energy: -0.223
local terms energy: -322.824206
where:
bonds (distance) C4'-P energy: -83.749
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -77.889
flat angles P-C4'-P energy: -49.613
tors. eta vs tors. theta energy: -28.373
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: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -397.982502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.982502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.982502 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -122.490
Base-Backbone interact. energy: 2.235
local terms energy: -268.091620
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -90.077
flat angles C4'-P-C4' energy: -75.579
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: 9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1722.556959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.556959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.556959 (E_RNA)
where:
Base-Base interactions energy: -1181.833
where: short stacking energy: -494.928
Base-Backbone interact. energy: -4.909
local terms energy: -535.815914
where:
bonds (distance) C4'-P energy: -101.172
bonds (distance) P-C4' energy: -104.131
flat angles C4'-P-C4' energy: -109.248
flat angles P-C4'-P energy: -84.136
tors. eta vs tors. theta energy: -137.130
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: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1613.811850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.811850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.811850 (E_RNA)
where:
Base-Base interactions energy: -1098.142
where: short stacking energy: -454.777
Base-Backbone interact. energy: -4.796
local terms energy: -510.873287
where:
bonds (distance) C4'-P energy: -110.765
bonds (distance) P-C4' energy: -97.905
flat angles C4'-P-C4' energy: -102.544
flat angles P-C4'-P energy: -64.262
tors. eta vs tors. theta energy: -135.398
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1522.307507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.307507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.307507 (E_RNA)
where:
Base-Base interactions energy: -1045.355
where: short stacking energy: -452.468
Base-Backbone interact. energy: 3.967
local terms energy: -480.919819
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -96.923
flat angles C4'-P-C4' energy: -97.313
flat angles P-C4'-P energy: -63.052
tors. eta vs tors. theta energy: -132.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1488.833632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.833632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.833632 (E_RNA)
where:
Base-Base interactions energy: -1023.803
where: short stacking energy: -428.343
Base-Backbone interact. energy: -2.243
local terms energy: -462.787821
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -103.913
flat angles C4'-P-C4' energy: -99.698
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -118.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1423.172701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.172701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.172701 (E_RNA)
where:
Base-Base interactions energy: -950.129
where: short stacking energy: -425.515
Base-Backbone interact. energy: -0.769
local terms energy: -472.274682
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -94.308
flat angles C4'-P-C4' energy: -101.288
flat angles P-C4'-P energy: -63.438
tors. eta vs tors. theta energy: -129.709
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: 144
Temperature: 1.150000
Total energy: -1284.793731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.793731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.793731 (E_RNA)
where:
Base-Base interactions energy: -878.172
where: short stacking energy: -365.658
Base-Backbone interact. energy: 2.115
local terms energy: -408.735923
where:
bonds (distance) C4'-P energy: -81.993
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -92.358
flat angles P-C4'-P energy: -53.447
tors. eta vs tors. theta energy: -97.669
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: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1150.525417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.525417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.525417 (E_RNA)
where:
Base-Base interactions energy: -750.216
where: short stacking energy: -340.836
Base-Backbone interact. energy: -1.519
local terms energy: -398.790950
where:
bonds (distance) C4'-P energy: -83.638
bonds (distance) P-C4' energy: -83.669
flat angles C4'-P-C4' energy: -90.850
flat angles P-C4'-P energy: -58.590
tors. eta vs tors. theta energy: -82.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1079.590499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.590499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.590499 (E_RNA)
where:
Base-Base interactions energy: -713.573
where: short stacking energy: -307.319
Base-Backbone interact. energy: 1.560
local terms energy: -367.577310
where:
bonds (distance) C4'-P energy: -78.967
bonds (distance) P-C4' energy: -84.465
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -51.229
tors. eta vs tors. theta energy: -62.540
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: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -766.622363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.622363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.622363 (E_RNA)
where:
Base-Base interactions energy: -458.443
where: short stacking energy: -225.633
Base-Backbone interact. energy: 4.295
local terms energy: -312.474190
where:
bonds (distance) C4'-P energy: -81.459
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -77.383
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: -29.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -396.224790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.224790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.224790 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -131.970
Base-Backbone interact. energy: -2.391
local terms energy: -242.594656
where:
bonds (distance) C4'-P energy: -83.959
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -66.501
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: 3.139
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: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1722.454917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.454917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.454917 (E_RNA)
where:
Base-Base interactions energy: -1210.637
where: short stacking energy: -534.508
Base-Backbone interact. energy: -2.700
local terms energy: -509.117562
where:
bonds (distance) C4'-P energy: -89.093
bonds (distance) P-C4' energy: -90.984
flat angles C4'-P-C4' energy: -114.598
flat angles P-C4'-P energy: -69.576
tors. eta vs tors. theta energy: -144.867
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: 145
Temperature: 0.950000
Total energy: -1563.982154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.982154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.982154 (E_RNA)
where:
Base-Base interactions energy: -1082.097
where: short stacking energy: -487.649
Base-Backbone interact. energy: -1.358
local terms energy: -480.526888
where:
bonds (distance) C4'-P energy: -92.047
bonds (distance) P-C4' energy: -97.854
flat angles C4'-P-C4' energy: -105.919
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -126.274
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1549.661240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.661240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.661240 (E_RNA)
where:
Base-Base interactions energy: -1052.701
where: short stacking energy: -462.611
Base-Backbone interact. energy: 1.122
local terms energy: -498.082307
where:
bonds (distance) C4'-P energy: -91.742
bonds (distance) P-C4' energy: -87.799
flat angles C4'-P-C4' energy: -110.398
flat angles P-C4'-P energy: -80.063
tors. eta vs tors. theta energy: -128.080
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: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1485.864890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.864890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.864890 (E_RNA)
where:
Base-Base interactions energy: -978.772
where: short stacking energy: -461.452
Base-Backbone interact. energy: 0.158
local terms energy: -507.250731
where:
bonds (distance) C4'-P energy: -99.337
bonds (distance) P-C4' energy: -95.714
flat angles C4'-P-C4' energy: -107.856
flat angles P-C4'-P energy: -67.956
tors. eta vs tors. theta energy: -136.388
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1448.417325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.417325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.417325 (E_RNA)
where:
Base-Base interactions energy: -995.558
where: short stacking energy: -402.613
Base-Backbone interact. energy: 0.758
local terms energy: -453.617645
where:
bonds (distance) C4'-P energy: -87.856
bonds (distance) P-C4' energy: -93.402
flat angles C4'-P-C4' energy: -101.704
flat angles P-C4'-P energy: -53.658
tors. eta vs tors. theta energy: -116.998
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: 145
Temperature: 1.150000
Total energy: -1331.056253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.056253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.056253 (E_RNA)
where:
Base-Base interactions energy: -901.636
where: short stacking energy: -386.136
Base-Backbone interact. energy: -2.214
local terms energy: -427.205881
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -95.590
flat angles C4'-P-C4' energy: -91.007
flat angles P-C4'-P energy: -56.258
tors. eta vs tors. theta energy: -108.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1155.335065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.335065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.335065 (E_RNA)
where:
Base-Base interactions energy: -770.855
where: short stacking energy: -353.065
Base-Backbone interact. energy: 2.344
local terms energy: -386.824965
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -78.378
flat angles C4'-P-C4' energy: -96.097
flat angles P-C4'-P energy: -59.920
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1094.564924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.564924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.564924 (E_RNA)
where:
Base-Base interactions energy: -716.037
where: short stacking energy: -297.944
Base-Backbone interact. energy: -1.445
local terms energy: -377.083442
where:
bonds (distance) C4'-P energy: -84.404
bonds (distance) P-C4' energy: -76.314
flat angles C4'-P-C4' energy: -92.072
flat angles P-C4'-P energy: -66.180
tors. eta vs tors. theta energy: -58.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -775.325460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.325460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.325460 (E_RNA)
where:
Base-Base interactions energy: -458.624
where: short stacking energy: -197.268
Base-Backbone interact. energy: -1.111
local terms energy: -315.590416
where:
bonds (distance) C4'-P energy: -76.950
bonds (distance) P-C4' energy: -88.654
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -424.675461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.675461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.675461 (E_RNA)
where:
Base-Base interactions energy: -181.379
where: short stacking energy: -129.358
Base-Backbone interact. energy: 4.241
local terms energy: -247.536589
where:
bonds (distance) C4'-P energy: -63.402
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -65.335
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: 14.637
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: 146
Temperature: 0.900000
Total energy: -1759.695953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.695953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.695953 (E_RNA)
where:
Base-Base interactions energy: -1215.010
where: short stacking energy: -521.459
Base-Backbone interact. energy: -4.864
local terms energy: -539.821726
where:
bonds (distance) C4'-P energy: -94.330
bonds (distance) P-C4' energy: -99.475
flat angles C4'-P-C4' energy: -119.735
flat angles P-C4'-P energy: -81.311
tors. eta vs tors. theta energy: -144.972
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: 146
Temperature: 0.950000
Total energy: -1542.677437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.677437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.677437 (E_RNA)
where:
Base-Base interactions energy: -1035.164
where: short stacking energy: -450.403
Base-Backbone interact. energy: -1.552
local terms energy: -505.962110
where:
bonds (distance) C4'-P energy: -103.527
bonds (distance) P-C4' energy: -102.097
flat angles C4'-P-C4' energy: -105.189
flat angles P-C4'-P energy: -70.839
tors. eta vs tors. theta energy: -124.310
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1486.696391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.696391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.696391 (E_RNA)
where:
Base-Base interactions energy: -986.300
where: short stacking energy: -462.584
Base-Backbone interact. energy: -4.075
local terms energy: -496.322185
where:
bonds (distance) C4'-P energy: -89.032
bonds (distance) P-C4' energy: -86.337
flat angles C4'-P-C4' energy: -109.554
flat angles P-C4'-P energy: -76.356
tors. eta vs tors. theta energy: -135.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1496.717154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.717154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.717154 (E_RNA)
where:
Base-Base interactions energy: -1020.534
where: short stacking energy: -429.477
Base-Backbone interact. energy: -0.365
local terms energy: -475.818161
where:
bonds (distance) C4'-P energy: -89.798
bonds (distance) P-C4' energy: -102.862
flat angles C4'-P-C4' energy: -99.726
flat angles P-C4'-P energy: -62.316
tors. eta vs tors. theta energy: -121.116
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: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1437.324485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.324485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.324485 (E_RNA)
where:
Base-Base interactions energy: -982.650
where: short stacking energy: -404.735
Base-Backbone interact. energy: -0.682
local terms energy: -453.993032
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -93.530
flat angles C4'-P-C4' energy: -102.902
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -97.742
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: 146
Temperature: 1.150000
Total energy: -1347.605536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.605536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.605536 (E_RNA)
where:
Base-Base interactions energy: -901.023
where: short stacking energy: -394.324
Base-Backbone interact. energy: -3.379
local terms energy: -443.203250
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -88.554
flat angles C4'-P-C4' energy: -101.485
flat angles P-C4'-P energy: -67.248
tors. eta vs tors. theta energy: -113.389
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: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1117.379863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.379863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.379863 (E_RNA)
where:
Base-Base interactions energy: -713.383
where: short stacking energy: -323.470
Base-Backbone interact. energy: 1.499
local terms energy: -405.495931
where:
bonds (distance) C4'-P energy: -76.428
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -91.612
flat angles P-C4'-P energy: -57.623
tors. eta vs tors. theta energy: -78.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1134.235178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.235178 (E_RNA)
where:
Base-Base interactions energy: -753.199
where: short stacking energy: -315.684
Base-Backbone interact. energy: -2.352
local terms energy: -378.684098
where:
bonds (distance) C4'-P energy: -103.072
bonds (distance) P-C4' energy: -75.278
flat angles C4'-P-C4' energy: -83.377
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -65.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -782.002281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.002281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.002281 (E_RNA)
where:
Base-Base interactions energy: -496.978
where: short stacking energy: -227.629
Base-Backbone interact. energy: -1.294
local terms energy: -283.730791
where:
bonds (distance) C4'-P energy: -82.058
bonds (distance) P-C4' energy: -78.644
flat angles C4'-P-C4' energy: -74.544
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -21.802
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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -408.479809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.479809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.479809 (E_RNA)
where:
Base-Base interactions energy: -174.535
where: short stacking energy: -110.402
Base-Backbone interact. energy: 4.108
local terms energy: -238.052188
where:
bonds (distance) C4'-P energy: -83.104
bonds (distance) P-C4' energy: -79.441
flat angles C4'-P-C4' energy: -56.561
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: 16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1721.094218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.094218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.094218 (E_RNA)
where:
Base-Base interactions energy: -1199.122
where: short stacking energy: -515.307
Base-Backbone interact. energy: -4.723
local terms energy: -517.248947
where:
bonds (distance) C4'-P energy: -102.681
bonds (distance) P-C4' energy: -84.832
flat angles C4'-P-C4' energy: -118.439
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: -145.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1533.145875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.145875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.145875 (E_RNA)
where:
Base-Base interactions energy: -1055.548
where: short stacking energy: -444.985
Base-Backbone interact. energy: -2.994
local terms energy: -474.603900
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -85.918
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -55.039
tors. eta vs tors. theta energy: -124.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1493.573097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.573097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.573097 (E_RNA)
where:
Base-Base interactions energy: -1007.577
where: short stacking energy: -455.373
Base-Backbone interact. energy: -2.459
local terms energy: -483.536881
where:
bonds (distance) C4'-P energy: -78.934
bonds (distance) P-C4' energy: -99.482
flat angles C4'-P-C4' energy: -108.426
flat angles P-C4'-P energy: -59.843
tors. eta vs tors. theta energy: -136.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1538.168202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.168202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.168202 (E_RNA)
where:
Base-Base interactions energy: -1035.728
where: short stacking energy: -447.180
Base-Backbone interact. energy: -2.242
local terms energy: -500.198772
where:
bonds (distance) C4'-P energy: -88.835
bonds (distance) P-C4' energy: -95.848
flat angles C4'-P-C4' energy: -106.993
flat angles P-C4'-P energy: -73.560
tors. eta vs tors. theta energy: -134.962
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: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1395.674278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.674278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.674278 (E_RNA)
where:
Base-Base interactions energy: -965.473
where: short stacking energy: -391.231
Base-Backbone interact. energy: -0.334
local terms energy: -429.867278
where:
bonds (distance) C4'-P energy: -80.698
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -96.792
flat angles P-C4'-P energy: -68.625
tors. eta vs tors. theta energy: -95.571
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: 147
Temperature: 1.150000
Total energy: -1345.995412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.995412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.995412 (E_RNA)
where:
Base-Base interactions energy: -934.872
where: short stacking energy: -397.325
Base-Backbone interact. energy: -0.951
local terms energy: -410.172937
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -71.844
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -111.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1131.291028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.291028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.291028 (E_RNA)
where:
Base-Base interactions energy: -729.088
where: short stacking energy: -315.349
Base-Backbone interact. energy: -1.346
local terms energy: -400.857126
where:
bonds (distance) C4'-P energy: -87.602
bonds (distance) P-C4' energy: -89.982
flat angles C4'-P-C4' energy: -79.309
flat angles P-C4'-P energy: -68.018
tors. eta vs tors. theta energy: -75.946
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: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1135.556101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.556101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.556101 (E_RNA)
where:
Base-Base interactions energy: -751.990
where: short stacking energy: -338.749
Base-Backbone interact. energy: -1.022
local terms energy: -382.543596
where:
bonds (distance) C4'-P energy: -68.236
bonds (distance) P-C4' energy: -83.994
flat angles C4'-P-C4' energy: -91.635
flat angles P-C4'-P energy: -61.754
tors. eta vs tors. theta energy: -76.925
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: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -752.934839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.934839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.934839 (E_RNA)
where:
Base-Base interactions energy: -444.855
where: short stacking energy: -226.025
Base-Backbone interact. energy: -0.304
local terms energy: -307.775318
where:
bonds (distance) C4'-P energy: -68.729
bonds (distance) P-C4' energy: -79.322
flat angles C4'-P-C4' energy: -79.810
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -36.747
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: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -507.702043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.702043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.702043 (E_RNA)
where:
Base-Base interactions energy: -209.675
where: short stacking energy: -118.845
Base-Backbone interact. energy: 3.602
local terms energy: -301.629640
where:
bonds (distance) C4'-P energy: -74.309
bonds (distance) P-C4' energy: -89.504
flat angles C4'-P-C4' energy: -80.758
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -6.990
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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1731.059170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.059170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.059170 (E_RNA)
where:
Base-Base interactions energy: -1200.432
where: short stacking energy: -498.151
Base-Backbone interact. energy: -6.646
local terms energy: -523.981247
where:
bonds (distance) C4'-P energy: -102.469
bonds (distance) P-C4' energy: -98.862
flat angles C4'-P-C4' energy: -109.752
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -137.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1540.821619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.821619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.821619 (E_RNA)
where:
Base-Base interactions energy: -1036.362
where: short stacking energy: -456.525
Base-Backbone interact. energy: -0.851
local terms energy: -503.608991
where:
bonds (distance) C4'-P energy: -93.610
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -116.110
flat angles P-C4'-P energy: -69.548
tors. eta vs tors. theta energy: -125.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1542.620456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.620456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.620456 (E_RNA)
where:
Base-Base interactions energy: -1040.304
where: short stacking energy: -455.539
Base-Backbone interact. energy: -3.945
local terms energy: -498.371971
where:
bonds (distance) C4'-P energy: -95.887
bonds (distance) P-C4' energy: -99.342
flat angles C4'-P-C4' energy: -100.321
flat angles P-C4'-P energy: -74.732
tors. eta vs tors. theta energy: -128.090
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: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1444.188659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.188659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.188659 (E_RNA)
where:
Base-Base interactions energy: -1002.704
where: short stacking energy: -444.937
Base-Backbone interact. energy: -2.490
local terms energy: -438.994516
where:
bonds (distance) C4'-P energy: -79.832
bonds (distance) P-C4' energy: -89.748
flat angles C4'-P-C4' energy: -79.683
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -131.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1440.485223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.485223 (E_RNA)
where:
Base-Base interactions energy: -1007.897
where: short stacking energy: -415.549
Base-Backbone interact. energy: -2.484
local terms energy: -430.104663
where:
bonds (distance) C4'-P energy: -77.782
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -54.107
tors. eta vs tors. theta energy: -100.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1291.111390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.111390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.111390 (E_RNA)
where:
Base-Base interactions energy: -868.777
where: short stacking energy: -364.761
Base-Backbone interact. energy: 8.771
local terms energy: -431.105338
where:
bonds (distance) C4'-P energy: -89.290
bonds (distance) P-C4' energy: -94.135
flat angles C4'-P-C4' energy: -85.618
flat angles P-C4'-P energy: -68.226
tors. eta vs tors. theta energy: -93.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1141.926789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.926789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.926789 (E_RNA)
where:
Base-Base interactions energy: -754.038
where: short stacking energy: -341.206
Base-Backbone interact. energy: 3.244
local terms energy: -391.131895
where:
bonds (distance) C4'-P energy: -90.242
bonds (distance) P-C4' energy: -86.154
flat angles C4'-P-C4' energy: -89.512
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -77.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1073.589323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.589323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.589323 (E_RNA)
where:
Base-Base interactions energy: -697.884
where: short stacking energy: -315.801
Base-Backbone interact. energy: -0.722
local terms energy: -374.982720
where:
bonds (distance) C4'-P energy: -77.414
bonds (distance) P-C4' energy: -93.249
flat angles C4'-P-C4' energy: -77.567
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -72.887
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: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -736.853477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.853477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.853477 (E_RNA)
where:
Base-Base interactions energy: -444.062
where: short stacking energy: -224.960
Base-Backbone interact. energy: -0.301
local terms energy: -292.490263
where:
bonds (distance) C4'-P energy: -78.017
bonds (distance) P-C4' energy: -90.106
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -450.734909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.734909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.734909 (E_RNA)
where:
Base-Base interactions energy: -185.339
where: short stacking energy: -132.788
Base-Backbone interact. energy: 6.270
local terms energy: -271.666234
where:
bonds (distance) C4'-P energy: -83.080
bonds (distance) P-C4' energy: -85.283
flat angles C4'-P-C4' energy: -61.872
flat angles P-C4'-P energy: -44.267
tors. eta vs tors. theta energy: 2.836
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: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1715.286032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.286032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.286032 (E_RNA)
where:
Base-Base interactions energy: -1191.925
where: short stacking energy: -514.002
Base-Backbone interact. energy: -1.947
local terms energy: -521.413636
where:
bonds (distance) C4'-P energy: -93.854
bonds (distance) P-C4' energy: -99.437
flat angles C4'-P-C4' energy: -112.725
flat angles P-C4'-P energy: -74.173
tors. eta vs tors. theta energy: -141.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1552.086356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.086356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.086356 (E_RNA)
where:
Base-Base interactions energy: -1039.452
where: short stacking energy: -450.332
Base-Backbone interact. energy: -2.161
local terms energy: -510.473299
where:
bonds (distance) C4'-P energy: -96.233
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -111.904
flat angles P-C4'-P energy: -74.534
tors. eta vs tors. theta energy: -129.767
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: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1517.052774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.052774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.052774 (E_RNA)
where:
Base-Base interactions energy: -1038.084
where: short stacking energy: -466.435
Base-Backbone interact. energy: -1.797
local terms energy: -477.171975
where:
bonds (distance) C4'-P energy: -84.613
bonds (distance) P-C4' energy: -88.225
flat angles C4'-P-C4' energy: -110.727
flat angles P-C4'-P energy: -70.156
tors. eta vs tors. theta energy: -123.452
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1445.595235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.595235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.595235 (E_RNA)
where:
Base-Base interactions energy: -971.164
where: short stacking energy: -413.556
Base-Backbone interact. energy: -0.474
local terms energy: -473.957091
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -95.658
flat angles C4'-P-C4' energy: -96.710
flat angles P-C4'-P energy: -75.727
tors. eta vs tors. theta energy: -122.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1431.613097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.613097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.613097 (E_RNA)
where:
Base-Base interactions energy: -1002.570
where: short stacking energy: -419.562
Base-Backbone interact. energy: 1.433
local terms energy: -430.476245
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -79.369
flat angles C4'-P-C4' energy: -86.741
flat angles P-C4'-P energy: -72.994
tors. eta vs tors. theta energy: -111.676
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: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1347.447594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.447594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.447594 (E_RNA)
where:
Base-Base interactions energy: -913.232
where: short stacking energy: -397.774
Base-Backbone interact. energy: -2.238
local terms energy: -431.977557
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -81.684
flat angles C4'-P-C4' energy: -97.087
flat angles P-C4'-P energy: -64.053
tors. eta vs tors. theta energy: -89.917
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: 149
Temperature: 1.200000
Total energy: -1138.825850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.825850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.825850 (E_RNA)
where:
Base-Base interactions energy: -732.996
where: short stacking energy: -321.407
Base-Backbone interact. energy: -2.240
local terms energy: -403.590437
where:
bonds (distance) C4'-P energy: -92.634
bonds (distance) P-C4' energy: -92.577
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1111.780988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.780988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.780988 (E_RNA)
where:
Base-Base interactions energy: -722.651
where: short stacking energy: -316.853
Base-Backbone interact. energy: -1.310
local terms energy: -387.819636
where:
bonds (distance) C4'-P energy: -80.162
bonds (distance) P-C4' energy: -82.464
flat angles C4'-P-C4' energy: -94.482
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -70.829
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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -748.545443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.545443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.545443 (E_RNA)
where:
Base-Base interactions energy: -437.347
where: short stacking energy: -199.679
Base-Backbone interact. energy: -1.431
local terms energy: -309.766965
where:
bonds (distance) C4'-P energy: -90.159
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -65.725
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -13.279
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: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -418.561736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.561736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.561736 (E_RNA)
where:
Base-Base interactions energy: -151.942
where: short stacking energy: -125.840
Base-Backbone interact. energy: 1.199
local terms energy: -267.818661
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -78.696
flat angles C4'-P-C4' energy: -86.716
flat angles P-C4'-P energy: -36.370
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1716.629400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.629400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.629400 (E_RNA)
where:
Base-Base interactions energy: -1183.048
where: short stacking energy: -502.464
Base-Backbone interact. energy: -1.310
local terms energy: -532.271692
where:
bonds (distance) C4'-P energy: -102.418
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -75.381
tors. eta vs tors. theta energy: -139.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1553.390389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.390389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.390389 (E_RNA)
where:
Base-Base interactions energy: -1053.030
where: short stacking energy: -467.658
Base-Backbone interact. energy: -2.148
local terms energy: -498.212052
where:
bonds (distance) C4'-P energy: -85.212
bonds (distance) P-C4' energy: -95.149
flat angles C4'-P-C4' energy: -115.038
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -130.828
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: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1506.796736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.796736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.796736 (E_RNA)
where:
Base-Base interactions energy: -1024.868
where: short stacking energy: -446.892
Base-Backbone interact. energy: -1.687
local terms energy: -480.241420
where:
bonds (distance) C4'-P energy: -86.791
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -101.453
flat angles P-C4'-P energy: -65.430
tors. eta vs tors. theta energy: -133.759
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1478.642793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.642793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.642793 (E_RNA)
where:
Base-Base interactions energy: -989.320
where: short stacking energy: -418.134
Base-Backbone interact. energy: -2.038
local terms energy: -487.284485
where:
bonds (distance) C4'-P energy: -98.425
bonds (distance) P-C4' energy: -101.678
flat angles C4'-P-C4' energy: -102.213
flat angles P-C4'-P energy: -67.208
tors. eta vs tors. theta energy: -117.761
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: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1395.382637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.382637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.382637 (E_RNA)
where:
Base-Base interactions energy: -973.703
where: short stacking energy: -403.149
Base-Backbone interact. energy: -2.593
local terms energy: -419.086620
where:
bonds (distance) C4'-P energy: -88.485
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -101.456
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: 150
Temperature: 1.150000
Total energy: -1348.079942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.079942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.079942 (E_RNA)
where:
Base-Base interactions energy: -899.669
where: short stacking energy: -380.456
Base-Backbone interact. energy: -1.191
local terms energy: -447.220016
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -88.361
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -105.131
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: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1127.007262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.007262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.007262 (E_RNA)
where:
Base-Base interactions energy: -740.062
where: short stacking energy: -314.516
Base-Backbone interact. energy: 0.304
local terms energy: -387.248862
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -78.014
flat angles C4'-P-C4' energy: -98.911
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -73.966
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: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1071.763173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.763173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.763173 (E_RNA)
where:
Base-Base interactions energy: -684.626
where: short stacking energy: -286.879
Base-Backbone interact. energy: 0.405
local terms energy: -387.541465
where:
bonds (distance) C4'-P energy: -91.236
bonds (distance) P-C4' energy: -94.161
flat angles C4'-P-C4' energy: -81.277
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -66.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -771.624772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.624772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.624772 (E_RNA)
where:
Base-Base interactions energy: -449.406
where: short stacking energy: -221.647
Base-Backbone interact. energy: 4.494
local terms energy: -326.712567
where:
bonds (distance) C4'-P energy: -84.661
bonds (distance) P-C4' energy: -97.280
flat angles C4'-P-C4' energy: -68.950
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -380.546865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.546865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.546865 (E_RNA)
where:
Base-Base interactions energy: -134.401
where: short stacking energy: -103.073
Base-Backbone interact. energy: -4.010
local terms energy: -242.135723
where:
bonds (distance) C4'-P energy: -72.642
bonds (distance) P-C4' energy: -75.246
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: 14.465
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: 151
Temperature: 0.900000
Total energy: -1725.005061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.005061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.005061 (E_RNA)
where:
Base-Base interactions energy: -1189.159
where: short stacking energy: -502.074
Base-Backbone interact. energy: -2.744
local terms energy: -533.102767
where:
bonds (distance) C4'-P energy: -95.426
bonds (distance) P-C4' energy: -97.987
flat angles C4'-P-C4' energy: -116.504
flat angles P-C4'-P energy: -75.905
tors. eta vs tors. theta energy: -147.281
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1557.408718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.408718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.408718 (E_RNA)
where:
Base-Base interactions energy: -1076.863
where: short stacking energy: -430.573
Base-Backbone interact. energy: -2.362
local terms energy: -478.183439
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -97.991
flat angles C4'-P-C4' energy: -99.615
flat angles P-C4'-P energy: -73.521
tors. eta vs tors. theta energy: -114.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1528.704747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.704747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.704747 (E_RNA)
where:
Base-Base interactions energy: -1041.553
where: short stacking energy: -455.256
Base-Backbone interact. energy: -1.750
local terms energy: -485.402116
where:
bonds (distance) C4'-P energy: -83.177
bonds (distance) P-C4' energy: -102.663
flat angles C4'-P-C4' energy: -103.515
flat angles P-C4'-P energy: -58.881
tors. eta vs tors. theta energy: -137.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1464.974683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.974683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.974683 (E_RNA)
where:
Base-Base interactions energy: -1021.350
where: short stacking energy: -426.008
Base-Backbone interact. energy: -2.168
local terms energy: -441.456486
where:
bonds (distance) C4'-P energy: -90.520
bonds (distance) P-C4' energy: -98.364
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -111.492
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: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1375.273126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.273126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.273126 (E_RNA)
where:
Base-Base interactions energy: -963.293
where: short stacking energy: -409.809
Base-Backbone interact. energy: 1.712
local terms energy: -413.691372
where:
bonds (distance) C4'-P energy: -87.325
bonds (distance) P-C4' energy: -89.365
flat angles C4'-P-C4' energy: -83.601
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -108.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1342.054704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.054704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.054704 (E_RNA)
where:
Base-Base interactions energy: -925.804
where: short stacking energy: -390.873
Base-Backbone interact. energy: -0.910
local terms energy: -415.340294
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -76.508
flat angles C4'-P-C4' energy: -94.516
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -97.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1137.039799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.039799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.039799 (E_RNA)
where:
Base-Base interactions energy: -733.470
where: short stacking energy: -331.669
Base-Backbone interact. energy: -0.393
local terms energy: -403.176230
where:
bonds (distance) C4'-P energy: -77.525
bonds (distance) P-C4' energy: -95.868
flat angles C4'-P-C4' energy: -95.077
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -79.575
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: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1089.679834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.679834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.679834 (E_RNA)
where:
Base-Base interactions energy: -719.356
where: short stacking energy: -323.301
Base-Backbone interact. energy: 6.601
local terms energy: -376.925545
where:
bonds (distance) C4'-P energy: -78.154
bonds (distance) P-C4' energy: -92.653
flat angles C4'-P-C4' energy: -100.670
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -62.770
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: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -721.624736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.624736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.624736 (E_RNA)
where:
Base-Base interactions energy: -408.847
where: short stacking energy: -225.536
Base-Backbone interact. energy: 0.936
local terms energy: -313.714001
where:
bonds (distance) C4'-P energy: -70.760
bonds (distance) P-C4' energy: -90.582
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -411.615238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.615238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.615238 (E_RNA)
where:
Base-Base interactions energy: -128.733
where: short stacking energy: -114.459
Base-Backbone interact. energy: 3.485
local terms energy: -286.366976
where:
bonds (distance) C4'-P energy: -92.525
bonds (distance) P-C4' energy: -87.752
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: 7.987
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1729.779225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.779225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.779225 (E_RNA)
where:
Base-Base interactions energy: -1195.380
where: short stacking energy: -513.721
Base-Backbone interact. energy: -3.060
local terms energy: -531.338638
where:
bonds (distance) C4'-P energy: -99.662
bonds (distance) P-C4' energy: -92.787
flat angles C4'-P-C4' energy: -111.342
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -147.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1565.296138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.296138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.296138 (E_RNA)
where:
Base-Base interactions energy: -1066.575
where: short stacking energy: -465.209
Base-Backbone interact. energy: -2.971
local terms energy: -495.749872
where:
bonds (distance) C4'-P energy: -95.999
bonds (distance) P-C4' energy: -99.090
flat angles C4'-P-C4' energy: -119.089
flat angles P-C4'-P energy: -65.642
tors. eta vs tors. theta energy: -115.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1535.596876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.596876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.596876 (E_RNA)
where:
Base-Base interactions energy: -1054.409
where: short stacking energy: -454.455
Base-Backbone interact. energy: -2.127
local terms energy: -479.060214
where:
bonds (distance) C4'-P energy: -86.199
bonds (distance) P-C4' energy: -95.303
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -66.323
tors. eta vs tors. theta energy: -134.068
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1512.035475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.035475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.035475 (E_RNA)
where:
Base-Base interactions energy: -1020.113
where: short stacking energy: -443.835
Base-Backbone interact. energy: -0.792
local terms energy: -491.130205
where:
bonds (distance) C4'-P energy: -85.326
bonds (distance) P-C4' energy: -89.021
flat angles C4'-P-C4' energy: -108.946
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -130.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1369.029098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.029098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.029098 (E_RNA)
where:
Base-Base interactions energy: -943.755
where: short stacking energy: -385.363
Base-Backbone interact. energy: -1.037
local terms energy: -424.237450
where:
bonds (distance) C4'-P energy: -89.839
bonds (distance) P-C4' energy: -96.148
flat angles C4'-P-C4' energy: -88.799
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -90.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1323.149608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.149608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.149608 (E_RNA)
where:
Base-Base interactions energy: -922.460
where: short stacking energy: -397.869
Base-Backbone interact. energy: 1.023
local terms energy: -401.712121
where:
bonds (distance) C4'-P energy: -66.217
bonds (distance) P-C4' energy: -93.441
flat angles C4'-P-C4' energy: -91.074
flat angles P-C4'-P energy: -50.995
tors. eta vs tors. theta energy: -99.985
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: 152
Temperature: 1.200000
Total energy: -1058.253966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.253966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.253966 (E_RNA)
where:
Base-Base interactions energy: -664.416
where: short stacking energy: -319.706
Base-Backbone interact. energy: 2.662
local terms energy: -396.500116
where:
bonds (distance) C4'-P energy: -77.367
bonds (distance) P-C4' energy: -91.421
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -64.702
tors. eta vs tors. theta energy: -66.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1170.649817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.649817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.649817 (E_RNA)
where:
Base-Base interactions energy: -792.972
where: short stacking energy: -347.513
Base-Backbone interact. energy: -1.100
local terms energy: -376.578238
where:
bonds (distance) C4'-P energy: -73.189
bonds (distance) P-C4' energy: -69.734
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -88.140
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: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -719.887606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.887606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.887606 (E_RNA)
where:
Base-Base interactions energy: -400.947
where: short stacking energy: -207.780
Base-Backbone interact. energy: 4.643
local terms energy: -323.582925
where:
bonds (distance) C4'-P energy: -86.130
bonds (distance) P-C4' energy: -86.274
flat angles C4'-P-C4' energy: -74.511
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -387.136634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.136634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.136634 (E_RNA)
where:
Base-Base interactions energy: -133.742
where: short stacking energy: -110.603
Base-Backbone interact. energy: -3.141
local terms energy: -250.253788
where:
bonds (distance) C4'-P energy: -76.293
bonds (distance) P-C4' energy: -76.750
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: 9.525
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: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1706.277120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.277120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.277120 (E_RNA)
where:
Base-Base interactions energy: -1184.669
where: short stacking energy: -513.802
Base-Backbone interact. energy: -4.467
local terms energy: -517.141616
where:
bonds (distance) C4'-P energy: -93.386
bonds (distance) P-C4' energy: -96.781
flat angles C4'-P-C4' energy: -114.978
flat angles P-C4'-P energy: -63.738
tors. eta vs tors. theta energy: -148.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1569.912644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.912644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.912644 (E_RNA)
where:
Base-Base interactions energy: -1076.351
where: short stacking energy: -472.475
Base-Backbone interact. energy: 5.159
local terms energy: -498.720449
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -104.115
flat angles C4'-P-C4' energy: -107.254
flat angles P-C4'-P energy: -68.039
tors. eta vs tors. theta energy: -133.168
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: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1528.592844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.592844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.592844 (E_RNA)
where:
Base-Base interactions energy: -1015.591
where: short stacking energy: -476.854
Base-Backbone interact. energy: -2.993
local terms energy: -510.008997
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -112.981
flat angles P-C4'-P energy: -76.742
tors. eta vs tors. theta energy: -136.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1481.374939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.374939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.374939 (E_RNA)
where:
Base-Base interactions energy: -994.143
where: short stacking energy: -440.724
Base-Backbone interact. energy: 1.346
local terms energy: -488.577675
where:
bonds (distance) C4'-P energy: -95.353
bonds (distance) P-C4' energy: -96.387
flat angles C4'-P-C4' energy: -96.110
flat angles P-C4'-P energy: -71.207
tors. eta vs tors. theta energy: -129.521
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: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1350.668730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.668730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.668730 (E_RNA)
where:
Base-Base interactions energy: -910.092
where: short stacking energy: -386.830
Base-Backbone interact. energy: 1.226
local terms energy: -441.802919
where:
bonds (distance) C4'-P energy: -85.186
bonds (distance) P-C4' energy: -87.135
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -64.015
tors. eta vs tors. theta energy: -105.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1331.949209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.949209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.949209 (E_RNA)
where:
Base-Base interactions energy: -922.204
where: short stacking energy: -383.286
Base-Backbone interact. energy: -0.361
local terms energy: -409.383922
where:
bonds (distance) C4'-P energy: -61.393
bonds (distance) P-C4' energy: -92.137
flat angles C4'-P-C4' energy: -90.752
flat angles P-C4'-P energy: -65.686
tors. eta vs tors. theta energy: -99.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1137.792008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.792008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.792008 (E_RNA)
where:
Base-Base interactions energy: -728.591
where: short stacking energy: -314.877
Base-Backbone interact. energy: -1.415
local terms energy: -407.785212
where:
bonds (distance) C4'-P energy: -102.924
bonds (distance) P-C4' energy: -83.670
flat angles C4'-P-C4' energy: -93.819
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -66.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1074.639719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.639719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.639719 (E_RNA)
where:
Base-Base interactions energy: -723.992
where: short stacking energy: -298.286
Base-Backbone interact. energy: 3.261
local terms energy: -353.908073
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -88.780
flat angles C4'-P-C4' energy: -91.651
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -46.015
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: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -707.741088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.741088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.741088 (E_RNA)
where:
Base-Base interactions energy: -402.232
where: short stacking energy: -217.750
Base-Backbone interact. energy: 1.396
local terms energy: -306.905018
where:
bonds (distance) C4'-P energy: -77.518
bonds (distance) P-C4' energy: -84.581
flat angles C4'-P-C4' energy: -80.894
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -21.659
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: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -475.327573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.327573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.327573 (E_RNA)
where:
Base-Base interactions energy: -197.258
where: short stacking energy: -131.221
Base-Backbone interact. energy: -0.979
local terms energy: -277.091204
where:
bonds (distance) C4'-P energy: -84.253
bonds (distance) P-C4' energy: -80.160
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: 4.350
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: 154
Temperature: 0.900000
Total energy: -1711.064662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.064662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.064662 (E_RNA)
where:
Base-Base interactions energy: -1192.805
where: short stacking energy: -504.773
Base-Backbone interact. energy: -2.809
local terms energy: -515.450947
where:
bonds (distance) C4'-P energy: -100.408
bonds (distance) P-C4' energy: -89.966
flat angles C4'-P-C4' energy: -110.356
flat angles P-C4'-P energy: -74.237
tors. eta vs tors. theta energy: -140.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1558.068993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.068993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.068993 (E_RNA)
where:
Base-Base interactions energy: -1077.913
where: short stacking energy: -459.036
Base-Backbone interact. energy: -2.262
local terms energy: -477.893963
where:
bonds (distance) C4'-P energy: -98.154
bonds (distance) P-C4' energy: -89.987
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -60.742
tors. eta vs tors. theta energy: -125.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1557.335665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.335665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.335665 (E_RNA)
where:
Base-Base interactions energy: -1067.486
where: short stacking energy: -472.322
Base-Backbone interact. energy: 2.295
local terms energy: -492.145006
where:
bonds (distance) C4'-P energy: -101.801
bonds (distance) P-C4' energy: -88.782
flat angles C4'-P-C4' energy: -111.263
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -129.865
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1493.947664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.947664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.947664 (E_RNA)
where:
Base-Base interactions energy: -1008.310
where: short stacking energy: -459.675
Base-Backbone interact. energy: -0.787
local terms energy: -484.850913
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -87.547
flat angles C4'-P-C4' energy: -103.288
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -136.658
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: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1343.605968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.605968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.605968 (E_RNA)
where:
Base-Base interactions energy: -905.832
where: short stacking energy: -385.627
Base-Backbone interact. energy: 1.222
local terms energy: -438.996057
where:
bonds (distance) C4'-P energy: -75.396
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -110.671
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -93.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1296.355621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.355621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.355621 (E_RNA)
where:
Base-Base interactions energy: -885.809
where: short stacking energy: -361.341
Base-Backbone interact. energy: 0.028
local terms energy: -410.574251
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -86.012
flat angles C4'-P-C4' energy: -72.149
flat angles P-C4'-P energy: -68.122
tors. eta vs tors. theta energy: -89.574
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1133.858542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.858542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.858542 (E_RNA)
where:
Base-Base interactions energy: -734.035
where: short stacking energy: -315.324
Base-Backbone interact. energy: -1.047
local terms energy: -398.776715
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -90.429
flat angles C4'-P-C4' energy: -84.785
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -69.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1022.850027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.850027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.850027 (E_RNA)
where:
Base-Base interactions energy: -666.817
where: short stacking energy: -297.382
Base-Backbone interact. energy: -1.194
local terms energy: -354.838492
where:
bonds (distance) C4'-P energy: -79.288
bonds (distance) P-C4' energy: -68.596
flat angles C4'-P-C4' energy: -87.125
flat angles P-C4'-P energy: -50.544
tors. eta vs tors. theta energy: -69.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -736.843946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.843946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.843946 (E_RNA)
where:
Base-Base interactions energy: -424.352
where: short stacking energy: -202.447
Base-Backbone interact. energy: -0.705
local terms energy: -311.787579
where:
bonds (distance) C4'-P energy: -83.466
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -77.078
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -397.800263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.800263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.800263 (E_RNA)
where:
Base-Base interactions energy: -155.239
where: short stacking energy: -103.246
Base-Backbone interact. energy: 8.146
local terms energy: -250.707652
where:
bonds (distance) C4'-P energy: -74.633
bonds (distance) P-C4' energy: -88.964
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: 20.366
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: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1717.532809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.532809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.532809 (E_RNA)
where:
Base-Base interactions energy: -1178.130
where: short stacking energy: -509.467
Base-Backbone interact. energy: -5.214
local terms energy: -534.188108
where:
bonds (distance) C4'-P energy: -88.490
bonds (distance) P-C4' energy: -100.478
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -84.439
tors. eta vs tors. theta energy: -149.366
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: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1598.393692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.393692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.393692 (E_RNA)
where:
Base-Base interactions energy: -1078.121
where: short stacking energy: -475.650
Base-Backbone interact. energy: -1.017
local terms energy: -519.256037
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -91.028
flat angles C4'-P-C4' energy: -108.054
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -135.782
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: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1516.514105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.514105 (E_RNA)
where:
Base-Base interactions energy: -1077.189
where: short stacking energy: -443.473
Base-Backbone interact. energy: 1.876
local terms energy: -441.200936
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -102.486
flat angles P-C4'-P energy: -51.359
tors. eta vs tors. theta energy: -121.131
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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1498.289806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.289806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.289806 (E_RNA)
where:
Base-Base interactions energy: -1022.838
where: short stacking energy: -470.941
Base-Backbone interact. energy: -0.750
local terms energy: -474.701643
where:
bonds (distance) C4'-P energy: -83.587
bonds (distance) P-C4' energy: -82.651
flat angles C4'-P-C4' energy: -109.486
flat angles P-C4'-P energy: -56.851
tors. eta vs tors. theta energy: -142.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1365.185180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.185180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.185180 (E_RNA)
where:
Base-Base interactions energy: -964.012
where: short stacking energy: -397.364
Base-Backbone interact. energy: 0.461
local terms energy: -401.634386
where:
bonds (distance) C4'-P energy: -83.161
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -82.324
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -94.021
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: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1289.547361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.547361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.547361 (E_RNA)
where:
Base-Base interactions energy: -886.637
where: short stacking energy: -374.315
Base-Backbone interact. energy: -0.060
local terms energy: -402.849859
where:
bonds (distance) C4'-P energy: -79.667
bonds (distance) P-C4' energy: -84.533
flat angles C4'-P-C4' energy: -92.685
flat angles P-C4'-P energy: -58.617
tors. eta vs tors. theta energy: -87.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1121.513854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.513854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.513854 (E_RNA)
where:
Base-Base interactions energy: -784.454
where: short stacking energy: -333.510
Base-Backbone interact. energy: -0.607
local terms energy: -336.452292
where:
bonds (distance) C4'-P energy: -55.330
bonds (distance) P-C4' energy: -72.457
flat angles C4'-P-C4' energy: -88.923
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -72.112
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1000.466598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.466598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.466598 (E_RNA)
where:
Base-Base interactions energy: -638.380
where: short stacking energy: -279.988
Base-Backbone interact. energy: -2.135
local terms energy: -359.952088
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -72.970
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -54.468
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -763.993694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.993694 (E_RNA)
where:
Base-Base interactions energy: -446.881
where: short stacking energy: -225.846
Base-Backbone interact. energy: 3.153
local terms energy: -320.265533
where:
bonds (distance) C4'-P energy: -87.505
bonds (distance) P-C4' energy: -79.627
flat angles C4'-P-C4' energy: -65.267
flat angles P-C4'-P energy: -58.053
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -438.192323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.192323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.192323 (E_RNA)
where:
Base-Base interactions energy: -181.936
where: short stacking energy: -132.128
Base-Backbone interact. energy: 6.748
local terms energy: -263.003960
where:
bonds (distance) C4'-P energy: -79.456
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -44.216
tors. eta vs tors. theta energy: 5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1742.994028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.994028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.994028 (E_RNA)
where:
Base-Base interactions energy: -1207.541
where: short stacking energy: -520.750
Base-Backbone interact. energy: -2.235
local terms energy: -533.218021
where:
bonds (distance) C4'-P energy: -91.919
bonds (distance) P-C4' energy: -106.592
flat angles C4'-P-C4' energy: -114.792
flat angles P-C4'-P energy: -73.666
tors. eta vs tors. theta energy: -146.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1610.481919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.481919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.481919 (E_RNA)
where:
Base-Base interactions energy: -1090.599
where: short stacking energy: -471.034
Base-Backbone interact. energy: -2.795
local terms energy: -517.087984
where:
bonds (distance) C4'-P energy: -97.518
bonds (distance) P-C4' energy: -96.383
flat angles C4'-P-C4' energy: -111.181
flat angles P-C4'-P energy: -68.946
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: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1525.405011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.405011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.405011 (E_RNA)
where:
Base-Base interactions energy: -1038.397
where: short stacking energy: -471.960
Base-Backbone interact. energy: -1.021
local terms energy: -485.987023
where:
bonds (distance) C4'-P energy: -80.160
bonds (distance) P-C4' energy: -81.827
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -144.266
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: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1548.108349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.108349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.108349 (E_RNA)
where:
Base-Base interactions energy: -1075.742
where: short stacking energy: -444.941
Base-Backbone interact. energy: -4.271
local terms energy: -468.095708
where:
bonds (distance) C4'-P energy: -101.570
bonds (distance) P-C4' energy: -95.120
flat angles C4'-P-C4' energy: -88.710
flat angles P-C4'-P energy: -58.560
tors. eta vs tors. theta energy: -124.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1404.417643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.417643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.417643 (E_RNA)
where:
Base-Base interactions energy: -938.832
where: short stacking energy: -396.124
Base-Backbone interact. energy: 0.252
local terms energy: -465.838172
where:
bonds (distance) C4'-P energy: -77.480
bonds (distance) P-C4' energy: -106.961
flat angles C4'-P-C4' energy: -102.607
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -118.878
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1321.316000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.316000 (E_RNA)
where:
Base-Base interactions energy: -905.338
where: short stacking energy: -369.970
Base-Backbone interact. energy: -1.411
local terms energy: -414.566226
where:
bonds (distance) C4'-P energy: -84.715
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -68.530
tors. eta vs tors. theta energy: -93.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1153.325238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.325238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.325238 (E_RNA)
where:
Base-Base interactions energy: -771.437
where: short stacking energy: -344.600
Base-Backbone interact. energy: -0.835
local terms energy: -381.052579
where:
bonds (distance) C4'-P energy: -74.564
bonds (distance) P-C4' energy: -84.628
flat angles C4'-P-C4' energy: -104.157
flat angles P-C4'-P energy: -36.810
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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -946.960089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.960089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.960089 (E_RNA)
where:
Base-Base interactions energy: -565.421
where: short stacking energy: -253.797
Base-Backbone interact. energy: -2.504
local terms energy: -379.035290
where:
bonds (distance) C4'-P energy: -81.324
bonds (distance) P-C4' energy: -90.237
flat angles C4'-P-C4' energy: -92.953
flat angles P-C4'-P energy: -64.959
tors. eta vs tors. theta energy: -49.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -765.144116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.144116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.144116 (E_RNA)
where:
Base-Base interactions energy: -451.663
where: short stacking energy: -238.148
Base-Backbone interact. energy: -0.359
local terms energy: -313.122428
where:
bonds (distance) C4'-P energy: -75.657
bonds (distance) P-C4' energy: -64.376
flat angles C4'-P-C4' energy: -87.406
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -41.240
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -426.367571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.367571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.367571 (E_RNA)
where:
Base-Base interactions energy: -165.407
where: short stacking energy: -116.694
Base-Backbone interact. energy: 1.374
local terms energy: -262.335134
where:
bonds (distance) C4'-P energy: -72.348
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -72.809
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: 9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1743.360206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.360206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.360206 (E_RNA)
where:
Base-Base interactions energy: -1203.162
where: short stacking energy: -517.059
Base-Backbone interact. energy: -2.181
local terms energy: -538.017146
where:
bonds (distance) C4'-P energy: -90.245
bonds (distance) P-C4' energy: -111.858
flat angles C4'-P-C4' energy: -113.848
flat angles P-C4'-P energy: -75.455
tors. eta vs tors. theta energy: -146.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1557.209927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.209927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.209927 (E_RNA)
where:
Base-Base interactions energy: -1040.902
where: short stacking energy: -480.189
Base-Backbone interact. energy: -1.182
local terms energy: -515.125936
where:
bonds (distance) C4'-P energy: -90.447
bonds (distance) P-C4' energy: -104.832
flat angles C4'-P-C4' energy: -106.588
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -138.879
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: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1573.863848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.863848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.863848 (E_RNA)
where:
Base-Base interactions energy: -1090.629
where: short stacking energy: -451.287
Base-Backbone interact. energy: -3.885
local terms energy: -479.350091
where:
bonds (distance) C4'-P energy: -89.777
bonds (distance) P-C4' energy: -94.748
flat angles C4'-P-C4' energy: -105.256
flat angles P-C4'-P energy: -56.806
tors. eta vs tors. theta energy: -132.763
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: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1468.479910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.479910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.479910 (E_RNA)
where:
Base-Base interactions energy: -1020.305
where: short stacking energy: -432.444
Base-Backbone interact. energy: -2.223
local terms energy: -445.951503
where:
bonds (distance) C4'-P energy: -79.272
bonds (distance) P-C4' energy: -95.489
flat angles C4'-P-C4' energy: -96.339
flat angles P-C4'-P energy: -59.338
tors. eta vs tors. theta energy: -115.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1395.430784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.430784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.430784 (E_RNA)
where:
Base-Base interactions energy: -939.152
where: short stacking energy: -429.129
Base-Backbone interact. energy: -0.476
local terms energy: -455.802559
where:
bonds (distance) C4'-P energy: -97.528
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -104.202
flat angles P-C4'-P energy: -58.752
tors. eta vs tors. theta energy: -107.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1294.335066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.335066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.335066 (E_RNA)
where:
Base-Base interactions energy: -892.913
where: short stacking energy: -360.098
Base-Backbone interact. energy: -0.410
local terms energy: -401.012226
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -93.438
flat angles C4'-P-C4' energy: -95.302
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -80.940
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: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1112.443876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.443876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.443876 (E_RNA)
where:
Base-Base interactions energy: -705.825
where: short stacking energy: -314.569
Base-Backbone interact. energy: -1.677
local terms energy: -404.941690
where:
bonds (distance) C4'-P energy: -83.311
bonds (distance) P-C4' energy: -86.650
flat angles C4'-P-C4' energy: -101.668
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -75.420
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: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -923.592688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.592688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.592688 (E_RNA)
where:
Base-Base interactions energy: -582.571
where: short stacking energy: -267.951
Base-Backbone interact. energy: -0.496
local terms energy: -340.525532
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -81.354
flat angles C4'-P-C4' energy: -89.487
flat angles P-C4'-P energy: -58.163
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -798.430290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.430290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.430290 (E_RNA)
where:
Base-Base interactions energy: -481.971
where: short stacking energy: -224.359
Base-Backbone interact. energy: 0.413
local terms energy: -316.872740
where:
bonds (distance) C4'-P energy: -78.955
bonds (distance) P-C4' energy: -80.136
flat angles C4'-P-C4' energy: -81.658
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -28.281
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -421.191431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.191431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.191431 (E_RNA)
where:
Base-Base interactions energy: -206.201
where: short stacking energy: -138.343
Base-Backbone interact. energy: -0.542
local terms energy: -214.448798
where:
bonds (distance) C4'-P energy: -77.526
bonds (distance) P-C4' energy: -59.968
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -4.696
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: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1730.568749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.568749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.568749 (E_RNA)
where:
Base-Base interactions energy: -1206.089
where: short stacking energy: -510.704
Base-Backbone interact. energy: -3.996
local terms energy: -520.483886
where:
bonds (distance) C4'-P energy: -109.757
bonds (distance) P-C4' energy: -99.156
flat angles C4'-P-C4' energy: -108.262
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -140.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1579.110345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.110345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.110345 (E_RNA)
where:
Base-Base interactions energy: -1079.641
where: short stacking energy: -507.125
Base-Backbone interact. energy: -0.859
local terms energy: -498.610027
where:
bonds (distance) C4'-P energy: -89.418
bonds (distance) P-C4' energy: -95.948
flat angles C4'-P-C4' energy: -99.777
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -137.938
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1597.538164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.538164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.538164 (E_RNA)
where:
Base-Base interactions energy: -1118.913
where: short stacking energy: -481.718
Base-Backbone interact. energy: -2.142
local terms energy: -476.482405
where:
bonds (distance) C4'-P energy: -77.406
bonds (distance) P-C4' energy: -90.855
flat angles C4'-P-C4' energy: -103.933
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -131.951
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: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1462.599299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.599299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.599299 (E_RNA)
where:
Base-Base interactions energy: -1011.788
where: short stacking energy: -422.743
Base-Backbone interact. energy: 2.159
local terms energy: -452.970132
where:
bonds (distance) C4'-P energy: -88.398
bonds (distance) P-C4' energy: -92.272
flat angles C4'-P-C4' energy: -103.528
flat angles P-C4'-P energy: -57.781
tors. eta vs tors. theta energy: -110.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1383.537311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.537311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.537311 (E_RNA)
where:
Base-Base interactions energy: -939.629
where: short stacking energy: -405.508
Base-Backbone interact. energy: -0.378
local terms energy: -443.530372
where:
bonds (distance) C4'-P energy: -83.946
bonds (distance) P-C4' energy: -86.799
flat angles C4'-P-C4' energy: -105.601
flat angles P-C4'-P energy: -61.256
tors. eta vs tors. theta energy: -105.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1304.821676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.821676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.821676 (E_RNA)
where:
Base-Base interactions energy: -887.228
where: short stacking energy: -374.421
Base-Backbone interact. energy: -1.931
local terms energy: -415.663388
where:
bonds (distance) C4'-P energy: -86.613
bonds (distance) P-C4' energy: -80.355
flat angles C4'-P-C4' energy: -93.957
flat angles P-C4'-P energy: -60.710
tors. eta vs tors. theta energy: -94.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1121.871826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.871826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.871826 (E_RNA)
where:
Base-Base interactions energy: -740.138
where: short stacking energy: -338.504
Base-Backbone interact. energy: 4.670
local terms energy: -386.404409
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -91.206
flat angles C4'-P-C4' energy: -91.371
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -72.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -936.575245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.575245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.575245 (E_RNA)
where:
Base-Base interactions energy: -567.841
where: short stacking energy: -271.970
Base-Backbone interact. energy: -2.456
local terms energy: -366.278209
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -91.513
flat angles C4'-P-C4' energy: -82.452
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -47.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -747.727648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.727648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.727648 (E_RNA)
where:
Base-Base interactions energy: -439.230
where: short stacking energy: -220.457
Base-Backbone interact. energy: -0.401
local terms energy: -308.097376
where:
bonds (distance) C4'-P energy: -90.181
bonds (distance) P-C4' energy: -66.825
flat angles C4'-P-C4' energy: -84.000
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -500.064841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.064841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.064841 (E_RNA)
where:
Base-Base interactions energy: -244.345
where: short stacking energy: -125.543
Base-Backbone interact. energy: -0.843
local terms energy: -254.876728
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -71.195
flat angles C4'-P-C4' energy: -75.669
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: 15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1729.306208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.306208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.306208 (E_RNA)
where:
Base-Base interactions energy: -1215.867
where: short stacking energy: -521.757
Base-Backbone interact. energy: -2.013
local terms energy: -511.426842
where:
bonds (distance) C4'-P energy: -89.650
bonds (distance) P-C4' energy: -94.041
flat angles C4'-P-C4' energy: -110.167
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -150.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1578.479556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.479556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.479556 (E_RNA)
where:
Base-Base interactions energy: -1079.511
where: short stacking energy: -499.977
Base-Backbone interact. energy: 0.112
local terms energy: -499.080179
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -91.271
flat angles C4'-P-C4' energy: -109.821
flat angles P-C4'-P energy: -66.983
tors. eta vs tors. theta energy: -142.524
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1609.329193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.329193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.329193 (E_RNA)
where:
Base-Base interactions energy: -1122.346
where: short stacking energy: -482.445
Base-Backbone interact. energy: -0.700
local terms energy: -486.282554
where:
bonds (distance) C4'-P energy: -95.854
bonds (distance) P-C4' energy: -73.076
flat angles C4'-P-C4' energy: -115.537
flat angles P-C4'-P energy: -62.405
tors. eta vs tors. theta energy: -139.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1476.235214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.235214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.235214 (E_RNA)
where:
Base-Base interactions energy: -1026.854
where: short stacking energy: -417.798
Base-Backbone interact. energy: 0.936
local terms energy: -450.316628
where:
bonds (distance) C4'-P energy: -86.464
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -106.888
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: -112.186
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: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1384.841543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.841543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.841543 (E_RNA)
where:
Base-Base interactions energy: -908.890
where: short stacking energy: -391.386
Base-Backbone interact. energy: -1.984
local terms energy: -473.967282
where:
bonds (distance) C4'-P energy: -90.132
bonds (distance) P-C4' energy: -97.106
flat angles C4'-P-C4' energy: -97.792
flat angles P-C4'-P energy: -68.164
tors. eta vs tors. theta energy: -120.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1332.302082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.302082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.302082 (E_RNA)
where:
Base-Base interactions energy: -906.710
where: short stacking energy: -360.391
Base-Backbone interact. energy: 1.913
local terms energy: -427.504774
where:
bonds (distance) C4'-P energy: -84.159
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -113.171
flat angles P-C4'-P energy: -55.983
tors. eta vs tors. theta energy: -81.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1139.560095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.560095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.560095 (E_RNA)
where:
Base-Base interactions energy: -755.408
where: short stacking energy: -339.686
Base-Backbone interact. energy: 3.804
local terms energy: -387.956501
where:
bonds (distance) C4'-P energy: -81.882
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -102.285
flat angles P-C4'-P energy: -64.463
tors. eta vs tors. theta energy: -82.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -918.224480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.224480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.224480 (E_RNA)
where:
Base-Base interactions energy: -570.555
where: short stacking energy: -259.015
Base-Backbone interact. energy: -2.047
local terms energy: -345.622552
where:
bonds (distance) C4'-P energy: -77.684
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -75.101
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -47.339
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: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -707.813445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.813445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.813445 (E_RNA)
where:
Base-Base interactions energy: -405.932
where: short stacking energy: -227.146
Base-Backbone interact. energy: -0.082
local terms energy: -301.799377
where:
bonds (distance) C4'-P energy: -91.871
bonds (distance) P-C4' energy: -69.228
flat angles C4'-P-C4' energy: -73.639
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: -25.241
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: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -512.737061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.737061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.737061 (E_RNA)
where:
Base-Base interactions energy: -249.969
where: short stacking energy: -144.786
Base-Backbone interact. energy: 3.834
local terms energy: -266.601627
where:
bonds (distance) C4'-P energy: -80.262
bonds (distance) P-C4' energy: -87.442
flat angles C4'-P-C4' energy: -76.965
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: 15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1728.496741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.496741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.496741 (E_RNA)
where:
Base-Base interactions energy: -1192.648
where: short stacking energy: -505.848
Base-Backbone interact. energy: -1.602
local terms energy: -534.246888
where:
bonds (distance) C4'-P energy: -100.399
bonds (distance) P-C4' energy: -97.240
flat angles C4'-P-C4' energy: -121.387
flat angles P-C4'-P energy: -76.994
tors. eta vs tors. theta energy: -138.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1595.009074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.009074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.009074 (E_RNA)
where:
Base-Base interactions energy: -1072.164
where: short stacking energy: -492.100
Base-Backbone interact. energy: -0.769
local terms energy: -522.075487
where:
bonds (distance) C4'-P energy: -94.841
bonds (distance) P-C4' energy: -96.436
flat angles C4'-P-C4' energy: -104.493
flat angles P-C4'-P energy: -72.520
tors. eta vs tors. theta energy: -153.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1598.337999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.337999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.337999 (E_RNA)
where:
Base-Base interactions energy: -1101.015
where: short stacking energy: -478.629
Base-Backbone interact. energy: -1.859
local terms energy: -495.464354
where:
bonds (distance) C4'-P energy: -93.002
bonds (distance) P-C4' energy: -93.671
flat angles C4'-P-C4' energy: -102.400
flat angles P-C4'-P energy: -60.341
tors. eta vs tors. theta energy: -146.050
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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1481.388577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.388577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.388577 (E_RNA)
where:
Base-Base interactions energy: -1011.369
where: short stacking energy: -420.899
Base-Backbone interact. energy: -0.896
local terms energy: -469.122804
where:
bonds (distance) C4'-P energy: -86.509
bonds (distance) P-C4' energy: -102.455
flat angles C4'-P-C4' energy: -102.371
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -112.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1388.565921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.565921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.565921 (E_RNA)
where:
Base-Base interactions energy: -937.742
where: short stacking energy: -420.936
Base-Backbone interact. energy: 0.922
local terms energy: -451.745760
where:
bonds (distance) C4'-P energy: -92.991
bonds (distance) P-C4' energy: -83.570
flat angles C4'-P-C4' energy: -107.442
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -111.655
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1277.184021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.184021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.184021 (E_RNA)
where:
Base-Base interactions energy: -867.412
where: short stacking energy: -360.291
Base-Backbone interact. energy: 1.424
local terms energy: -411.196220
where:
bonds (distance) C4'-P energy: -78.518
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -100.369
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -93.737
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1107.411956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.411956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.411956 (E_RNA)
where:
Base-Base interactions energy: -719.611
where: short stacking energy: -318.461
Base-Backbone interact. energy: 2.290
local terms energy: -390.090843
where:
bonds (distance) C4'-P energy: -90.871
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -86.305
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -78.003
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: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -962.614791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.614791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.614791 (E_RNA)
where:
Base-Base interactions energy: -618.984
where: short stacking energy: -284.133
Base-Backbone interact. energy: 1.613
local terms energy: -345.243931
where:
bonds (distance) C4'-P energy: -55.925
bonds (distance) P-C4' energy: -85.563
flat angles C4'-P-C4' energy: -96.831
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -53.813
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -701.870795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.870795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.870795 (E_RNA)
where:
Base-Base interactions energy: -382.441
where: short stacking energy: -187.965
Base-Backbone interact. energy: 3.510
local terms energy: -322.939278
where:
bonds (distance) C4'-P energy: -80.027
bonds (distance) P-C4' energy: -89.845
flat angles C4'-P-C4' energy: -81.935
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -25.012
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: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -469.848514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.848514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.848514 (E_RNA)
where:
Base-Base interactions energy: -223.197
where: short stacking energy: -144.041
Base-Backbone interact. energy: 3.733
local terms energy: -250.384911
where:
bonds (distance) C4'-P energy: -69.659
bonds (distance) P-C4' energy: -86.104
flat angles C4'-P-C4' energy: -68.182
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: 14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1720.508872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.508872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.508872 (E_RNA)
where:
Base-Base interactions energy: -1179.832
where: short stacking energy: -496.383
Base-Backbone interact. energy: 0.958
local terms energy: -541.634122
where:
bonds (distance) C4'-P energy: -97.299
bonds (distance) P-C4' energy: -102.048
flat angles C4'-P-C4' energy: -115.758
flat angles P-C4'-P energy: -86.683
tors. eta vs tors. theta energy: -139.846
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1650.939380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.939380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.939380 (E_RNA)
where:
Base-Base interactions energy: -1150.498
where: short stacking energy: -500.371
Base-Backbone interact. energy: -3.705
local terms energy: -496.736075
where:
bonds (distance) C4'-P energy: -100.191
bonds (distance) P-C4' energy: -91.262
flat angles C4'-P-C4' energy: -103.776
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: -132.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1533.493589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.493589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.493589 (E_RNA)
where:
Base-Base interactions energy: -1020.176
where: short stacking energy: -465.262
Base-Backbone interact. energy: -0.041
local terms energy: -513.276156
where:
bonds (distance) C4'-P energy: -99.151
bonds (distance) P-C4' energy: -87.335
flat angles C4'-P-C4' energy: -100.049
flat angles P-C4'-P energy: -73.773
tors. eta vs tors. theta energy: -152.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1487.302842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.302842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.302842 (E_RNA)
where:
Base-Base interactions energy: -1019.228
where: short stacking energy: -421.387
Base-Backbone interact. energy: -2.614
local terms energy: -465.461662
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -89.407
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -58.262
tors. eta vs tors. theta energy: -119.832
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: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1383.218118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.218118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.218118 (E_RNA)
where:
Base-Base interactions energy: -950.792
where: short stacking energy: -389.513
Base-Backbone interact. energy: 0.744
local terms energy: -433.169890
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -92.633
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -110.871
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1294.120935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.120935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.120935 (E_RNA)
where:
Base-Base interactions energy: -885.314
where: short stacking energy: -361.120
Base-Backbone interact. energy: -2.588
local terms energy: -406.219318
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -80.193
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -56.356
tors. eta vs tors. theta energy: -85.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1178.987467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.987467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.987467 (E_RNA)
where:
Base-Base interactions energy: -775.135
where: short stacking energy: -335.980
Base-Backbone interact. energy: -2.585
local terms energy: -401.268024
where:
bonds (distance) C4'-P energy: -81.178
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -86.967
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: -83.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -969.659132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.659132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.659132 (E_RNA)
where:
Base-Base interactions energy: -608.425
where: short stacking energy: -286.746
Base-Backbone interact. energy: -1.043
local terms energy: -360.190996
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -98.007
flat angles C4'-P-C4' energy: -81.459
flat angles P-C4'-P energy: -48.333
tors. eta vs tors. theta energy: -67.832
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -708.908995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.908995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.908995 (E_RNA)
where:
Base-Base interactions energy: -390.191
where: short stacking energy: -211.706
Base-Backbone interact. energy: -1.179
local terms energy: -317.538854
where:
bonds (distance) C4'-P energy: -84.848
bonds (distance) P-C4' energy: -90.715
flat angles C4'-P-C4' energy: -67.947
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -34.760
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: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -577.875506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.875506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.875506 (E_RNA)
where:
Base-Base interactions energy: -312.992
where: short stacking energy: -172.590
Base-Backbone interact. energy: -1.420
local terms energy: -263.463294
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -75.168
flat angles C4'-P-C4' energy: -73.117
flat angles P-C4'-P energy: -58.328
tors. eta vs tors. theta energy: -5.705
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: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1737.260489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.260489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.260489 (E_RNA)
where:
Base-Base interactions energy: -1210.577
where: short stacking energy: -517.918
Base-Backbone interact. energy: -1.517
local terms energy: -525.166365
where:
bonds (distance) C4'-P energy: -101.586
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -114.278
flat angles P-C4'-P energy: -64.081
tors. eta vs tors. theta energy: -148.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1622.521004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.521004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.521004 (E_RNA)
where:
Base-Base interactions energy: -1100.850
where: short stacking energy: -497.533
Base-Backbone interact. energy: -3.910
local terms energy: -517.761360
where:
bonds (distance) C4'-P energy: -91.154
bonds (distance) P-C4' energy: -99.896
flat angles C4'-P-C4' energy: -107.569
flat angles P-C4'-P energy: -74.747
tors. eta vs tors. theta energy: -144.395
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1554.411530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.411530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.411530 (E_RNA)
where:
Base-Base interactions energy: -1056.652
where: short stacking energy: -479.178
Base-Backbone interact. energy: -0.765
local terms energy: -496.994786
where:
bonds (distance) C4'-P energy: -92.983
bonds (distance) P-C4' energy: -88.483
flat angles C4'-P-C4' energy: -106.373
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -142.012
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: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1501.556159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.556159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.556159 (E_RNA)
where:
Base-Base interactions energy: -1044.165
where: short stacking energy: -446.088
Base-Backbone interact. energy: -1.658
local terms energy: -455.733533
where:
bonds (distance) C4'-P energy: -94.213
bonds (distance) P-C4' energy: -92.885
flat angles C4'-P-C4' energy: -101.056
flat angles P-C4'-P energy: -49.403
tors. eta vs tors. theta energy: -118.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1353.912715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.912715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.912715 (E_RNA)
where:
Base-Base interactions energy: -892.218
where: short stacking energy: -401.775
Base-Backbone interact. energy: -0.663
local terms energy: -461.030909
where:
bonds (distance) C4'-P energy: -90.979
bonds (distance) P-C4' energy: -85.588
flat angles C4'-P-C4' energy: -102.429
flat angles P-C4'-P energy: -62.141
tors. eta vs tors. theta energy: -119.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1280.891154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.891154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.891154 (E_RNA)
where:
Base-Base interactions energy: -866.912
where: short stacking energy: -361.164
Base-Backbone interact. energy: -4.090
local terms energy: -409.889308
where:
bonds (distance) C4'-P energy: -81.980
bonds (distance) P-C4' energy: -81.884
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -62.167
tors. eta vs tors. theta energy: -90.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1165.264838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.264838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.264838 (E_RNA)
where:
Base-Base interactions energy: -759.578
where: short stacking energy: -335.124
Base-Backbone interact. energy: 1.035
local terms energy: -406.721838
where:
bonds (distance) C4'-P energy: -90.251
bonds (distance) P-C4' energy: -79.303
flat angles C4'-P-C4' energy: -99.834
flat angles P-C4'-P energy: -63.092
tors. eta vs tors. theta energy: -74.241
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: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -980.558758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.558758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.558758 (E_RNA)
where:
Base-Base interactions energy: -607.590
where: short stacking energy: -266.177
Base-Backbone interact. energy: 2.125
local terms energy: -375.093627
where:
bonds (distance) C4'-P energy: -88.393
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -88.983
flat angles P-C4'-P energy: -47.187
tors. eta vs tors. theta energy: -61.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -699.716451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.716451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.716451 (E_RNA)
where:
Base-Base interactions energy: -393.040
where: short stacking energy: -202.435
Base-Backbone interact. energy: 0.458
local terms energy: -307.133855
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -86.410
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -53.683
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -608.448376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.448376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.448376 (E_RNA)
where:
Base-Base interactions energy: -325.200
where: short stacking energy: -166.913
Base-Backbone interact. energy: -0.659
local terms energy: -282.588790
where:
bonds (distance) C4'-P energy: -83.583
bonds (distance) P-C4' energy: -81.354
flat angles C4'-P-C4' energy: -73.770
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: 6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1731.069413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.069413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.069413 (E_RNA)
where:
Base-Base interactions energy: -1184.943
where: short stacking energy: -483.952
Base-Backbone interact. energy: -0.044
local terms energy: -546.082756
where:
bonds (distance) C4'-P energy: -105.152
bonds (distance) P-C4' energy: -108.437
flat angles C4'-P-C4' energy: -115.080
flat angles P-C4'-P energy: -83.941
tors. eta vs tors. theta energy: -133.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1640.374252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.374252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.374252 (E_RNA)
where:
Base-Base interactions energy: -1132.121
where: short stacking energy: -495.975
Base-Backbone interact. energy: 2.776
local terms energy: -511.028916
where:
bonds (distance) C4'-P energy: -98.097
bonds (distance) P-C4' energy: -92.648
flat angles C4'-P-C4' energy: -116.342
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -138.657
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: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1548.567114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.567114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.567114 (E_RNA)
where:
Base-Base interactions energy: -1024.208
where: short stacking energy: -470.923
Base-Backbone interact. energy: -2.707
local terms energy: -521.652753
where:
bonds (distance) C4'-P energy: -89.437
bonds (distance) P-C4' energy: -93.324
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -149.901
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: 163
Temperature: 1.050000
Total energy: -1465.626351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.626351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.626351 (E_RNA)
where:
Base-Base interactions energy: -1014.768
where: short stacking energy: -439.924
Base-Backbone interact. energy: -1.055
local terms energy: -449.802430
where:
bonds (distance) C4'-P energy: -78.277
bonds (distance) P-C4' energy: -90.675
flat angles C4'-P-C4' energy: -100.288
flat angles P-C4'-P energy: -59.655
tors. eta vs tors. theta energy: -120.908
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: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1349.582485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.582485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.582485 (E_RNA)
where:
Base-Base interactions energy: -914.073
where: short stacking energy: -380.573
Base-Backbone interact. energy: 0.787
local terms energy: -436.296370
where:
bonds (distance) C4'-P energy: -82.141
bonds (distance) P-C4' energy: -95.284
flat angles C4'-P-C4' energy: -104.366
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -111.791
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: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1303.298037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.298037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.298037 (E_RNA)
where:
Base-Base interactions energy: -883.111
where: short stacking energy: -363.808
Base-Backbone interact. energy: -1.463
local terms energy: -418.723640
where:
bonds (distance) C4'-P energy: -97.896
bonds (distance) P-C4' energy: -83.779
flat angles C4'-P-C4' energy: -93.294
flat angles P-C4'-P energy: -60.914
tors. eta vs tors. theta energy: -82.841
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: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1163.351001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.351001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.351001 (E_RNA)
where:
Base-Base interactions energy: -758.844
where: short stacking energy: -336.855
Base-Backbone interact. energy: -4.144
local terms energy: -400.362727
where:
bonds (distance) C4'-P energy: -84.356
bonds (distance) P-C4' energy: -82.472
flat angles C4'-P-C4' energy: -98.622
flat angles P-C4'-P energy: -53.642
tors. eta vs tors. theta energy: -81.272
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: 163
Temperature: 1.250000
Total energy: -906.010317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.010317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.010317 (E_RNA)
where:
Base-Base interactions energy: -548.462
where: short stacking energy: -243.544
Base-Backbone interact. energy: -0.499
local terms energy: -357.048665
where:
bonds (distance) C4'-P energy: -90.452
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -43.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -621.597126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.597126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.597126 (E_RNA)
where:
Base-Base interactions energy: -315.463
where: short stacking energy: -176.725
Base-Backbone interact. energy: -0.737
local terms energy: -305.397055
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -95.015
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -40.597
tors. eta vs tors. theta energy: -5.693
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: 163
Temperature: 1.350000
Total energy: -686.482564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.482564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.482564 (E_RNA)
where:
Base-Base interactions energy: -372.909
where: short stacking energy: -182.533
Base-Backbone interact. energy: -0.053
local terms energy: -313.520724
where:
bonds (distance) C4'-P energy: -80.489
bonds (distance) P-C4' energy: -90.736
flat angles C4'-P-C4' energy: -68.122
flat angles P-C4'-P energy: -62.361
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1695.606750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.606750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.606750 (E_RNA)
where:
Base-Base interactions energy: -1183.374
where: short stacking energy: -503.840
Base-Backbone interact. energy: -2.031
local terms energy: -510.202069
where:
bonds (distance) C4'-P energy: -96.544
bonds (distance) P-C4' energy: -97.484
flat angles C4'-P-C4' energy: -108.179
flat angles P-C4'-P energy: -67.497
tors. eta vs tors. theta energy: -140.499
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: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1634.347057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.347057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.347057 (E_RNA)
where:
Base-Base interactions energy: -1113.770
where: short stacking energy: -472.631
Base-Backbone interact. energy: -4.291
local terms energy: -516.285886
where:
bonds (distance) C4'-P energy: -100.034
bonds (distance) P-C4' energy: -91.545
flat angles C4'-P-C4' energy: -109.274
flat angles P-C4'-P energy: -75.850
tors. eta vs tors. theta energy: -139.584
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: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1565.920247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.920247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.920247 (E_RNA)
where:
Base-Base interactions energy: -1056.473
where: short stacking energy: -499.509
Base-Backbone interact. energy: -2.430
local terms energy: -507.016773
where:
bonds (distance) C4'-P energy: -83.960
bonds (distance) P-C4' energy: -99.062
flat angles C4'-P-C4' energy: -95.834
flat angles P-C4'-P energy: -74.832
tors. eta vs tors. theta energy: -153.329
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: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1476.142434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.142434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.142434 (E_RNA)
where:
Base-Base interactions energy: -997.951
where: short stacking energy: -437.209
Base-Backbone interact. energy: 0.343
local terms energy: -478.534283
where:
bonds (distance) C4'-P energy: -88.536
bonds (distance) P-C4' energy: -91.136
flat angles C4'-P-C4' energy: -105.446
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -123.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1355.762685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.762685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.762685 (E_RNA)
where:
Base-Base interactions energy: -945.993
where: short stacking energy: -380.365
Base-Backbone interact. energy: -4.110
local terms energy: -405.659958
where:
bonds (distance) C4'-P energy: -80.964
bonds (distance) P-C4' energy: -92.351
flat angles C4'-P-C4' energy: -82.255
flat angles P-C4'-P energy: -55.765
tors. eta vs tors. theta energy: -94.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1349.985246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.985246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.985246 (E_RNA)
where:
Base-Base interactions energy: -937.127
where: short stacking energy: -385.872
Base-Backbone interact. energy: -3.730
local terms energy: -409.129013
where:
bonds (distance) C4'-P energy: -84.967
bonds (distance) P-C4' energy: -89.678
flat angles C4'-P-C4' energy: -89.689
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -100.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1187.219908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.219908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.219908 (E_RNA)
where:
Base-Base interactions energy: -784.794
where: short stacking energy: -350.812
Base-Backbone interact. energy: 0.835
local terms energy: -403.260540
where:
bonds (distance) C4'-P energy: -81.347
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -87.461
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -93.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -983.376821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.376821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.376821 (E_RNA)
where:
Base-Base interactions energy: -633.446
where: short stacking energy: -290.219
Base-Backbone interact. energy: 0.720
local terms energy: -350.650557
where:
bonds (distance) C4'-P energy: -63.874
bonds (distance) P-C4' energy: -94.011
flat angles C4'-P-C4' energy: -73.272
flat angles P-C4'-P energy: -55.324
tors. eta vs tors. theta energy: -64.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -723.085394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.085394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.085394 (E_RNA)
where:
Base-Base interactions energy: -420.518
where: short stacking energy: -213.013
Base-Backbone interact. energy: 1.600
local terms energy: -304.167534
where:
bonds (distance) C4'-P energy: -78.720
bonds (distance) P-C4' energy: -84.100
flat angles C4'-P-C4' energy: -75.644
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -595.141312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.141312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.141312 (E_RNA)
where:
Base-Base interactions energy: -341.496
where: short stacking energy: -162.291
Base-Backbone interact. energy: 2.383
local terms energy: -256.028310
where:
bonds (distance) C4'-P energy: -76.606
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -46.442
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: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1733.378163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.378163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.378163 (E_RNA)
where:
Base-Base interactions energy: -1193.299
where: short stacking energy: -519.436
Base-Backbone interact. energy: -2.189
local terms energy: -537.890952
where:
bonds (distance) C4'-P energy: -98.708
bonds (distance) P-C4' energy: -103.172
flat angles C4'-P-C4' energy: -113.480
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -145.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1664.738360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.738360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.738360 (E_RNA)
where:
Base-Base interactions energy: -1157.727
where: short stacking energy: -497.122
Base-Backbone interact. energy: -3.590
local terms energy: -503.421155
where:
bonds (distance) C4'-P energy: -93.785
bonds (distance) P-C4' energy: -95.899
flat angles C4'-P-C4' energy: -113.592
flat angles P-C4'-P energy: -61.781
tors. eta vs tors. theta energy: -138.365
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: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1575.077629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.077629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.077629 (E_RNA)
where:
Base-Base interactions energy: -1069.372
where: short stacking energy: -515.373
Base-Backbone interact. energy: -1.474
local terms energy: -504.231822
where:
bonds (distance) C4'-P energy: -80.500
bonds (distance) P-C4' energy: -91.128
flat angles C4'-P-C4' energy: -107.750
flat angles P-C4'-P energy: -66.578
tors. eta vs tors. theta energy: -158.276
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1481.638556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.638556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.638556 (E_RNA)
where:
Base-Base interactions energy: -1007.295
where: short stacking energy: -418.821
Base-Backbone interact. energy: -4.039
local terms energy: -470.304459
where:
bonds (distance) C4'-P energy: -98.056
bonds (distance) P-C4' energy: -88.260
flat angles C4'-P-C4' energy: -107.415
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -110.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1362.533951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.533951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.533951 (E_RNA)
where:
Base-Base interactions energy: -928.495
where: short stacking energy: -382.612
Base-Backbone interact. energy: -2.974
local terms energy: -431.065103
where:
bonds (distance) C4'-P energy: -89.977
bonds (distance) P-C4' energy: -92.633
flat angles C4'-P-C4' energy: -91.100
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -95.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1350.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.966477 (E_RNA)
where:
Base-Base interactions energy: -937.091
where: short stacking energy: -378.821
Base-Backbone interact. energy: -0.674
local terms energy: -413.201547
where:
bonds (distance) C4'-P energy: -85.873
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -96.825
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -95.475
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1172.710501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.710501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.710501 (E_RNA)
where:
Base-Base interactions energy: -767.508
where: short stacking energy: -341.006
Base-Backbone interact. energy: 1.576
local terms energy: -406.777753
where:
bonds (distance) C4'-P energy: -71.308
bonds (distance) P-C4' energy: -93.052
flat angles C4'-P-C4' energy: -90.631
flat angles P-C4'-P energy: -70.053
tors. eta vs tors. theta energy: -81.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1019.849424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.849424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.849424 (E_RNA)
where:
Base-Base interactions energy: -663.066
where: short stacking energy: -290.640
Base-Backbone interact. energy: -0.107
local terms energy: -356.676480
where:
bonds (distance) C4'-P energy: -86.127
bonds (distance) P-C4' energy: -82.960
flat angles C4'-P-C4' energy: -82.175
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -54.048
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: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -767.733870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.733870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.733870 (E_RNA)
where:
Base-Base interactions energy: -451.541
where: short stacking energy: -254.619
Base-Backbone interact. energy: -0.661
local terms energy: -315.531428
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -74.545
flat angles C4'-P-C4' energy: -81.053
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -47.431
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: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -611.615398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.615398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.615398 (E_RNA)
where:
Base-Base interactions energy: -342.668
where: short stacking energy: -186.642
Base-Backbone interact. energy: 2.393
local terms energy: -271.339841
where:
bonds (distance) C4'-P energy: -77.033
bonds (distance) P-C4' energy: -83.097
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1736.977094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.977094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.977094 (E_RNA)
where:
Base-Base interactions energy: -1221.510
where: short stacking energy: -506.211
Base-Backbone interact. energy: -2.813
local terms energy: -512.654248
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -97.119
flat angles C4'-P-C4' energy: -112.054
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -143.031
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: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1641.742198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.742198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.742198 (E_RNA)
where:
Base-Base interactions energy: -1134.178
where: short stacking energy: -494.659
Base-Backbone interact. energy: -5.013
local terms energy: -502.550813
where:
bonds (distance) C4'-P energy: -96.487
bonds (distance) P-C4' energy: -90.720
flat angles C4'-P-C4' energy: -112.268
flat angles P-C4'-P energy: -67.463
tors. eta vs tors. theta energy: -135.613
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1574.042523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.042523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.042523 (E_RNA)
where:
Base-Base interactions energy: -1078.649
where: short stacking energy: -490.689
Base-Backbone interact. energy: 0.612
local terms energy: -496.005376
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -80.362
flat angles C4'-P-C4' energy: -105.884
flat angles P-C4'-P energy: -77.691
tors. eta vs tors. theta energy: -147.293
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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1471.054107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.054107 (E_RNA)
where:
Base-Base interactions energy: -1014.334
where: short stacking energy: -425.368
Base-Backbone interact. energy: 0.119
local terms energy: -456.838932
where:
bonds (distance) C4'-P energy: -88.981
bonds (distance) P-C4' energy: -96.671
flat angles C4'-P-C4' energy: -101.904
flat angles P-C4'-P energy: -57.471
tors. eta vs tors. theta energy: -111.812
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1400.272480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.272480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.272480 (E_RNA)
where:
Base-Base interactions energy: -947.681
where: short stacking energy: -393.738
Base-Backbone interact. energy: 0.426
local terms energy: -453.017351
where:
bonds (distance) C4'-P energy: -94.429
bonds (distance) P-C4' energy: -86.452
flat angles C4'-P-C4' energy: -97.962
flat angles P-C4'-P energy: -67.033
tors. eta vs tors. theta energy: -107.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1292.746681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.746681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.746681 (E_RNA)
where:
Base-Base interactions energy: -885.700
where: short stacking energy: -355.137
Base-Backbone interact. energy: -3.004
local terms energy: -404.042303
where:
bonds (distance) C4'-P energy: -88.969
bonds (distance) P-C4' energy: -82.103
flat angles C4'-P-C4' energy: -87.934
flat angles P-C4'-P energy: -55.868
tors. eta vs tors. theta energy: -89.168
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: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1178.967127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.967127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.967127 (E_RNA)
where:
Base-Base interactions energy: -776.269
where: short stacking energy: -338.568
Base-Backbone interact. energy: -0.325
local terms energy: -402.373766
where:
bonds (distance) C4'-P energy: -76.878
bonds (distance) P-C4' energy: -95.640
flat angles C4'-P-C4' energy: -95.111
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -77.787
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: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -979.104581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.104581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.104581 (E_RNA)
where:
Base-Base interactions energy: -611.429
where: short stacking energy: -283.542
Base-Backbone interact. energy: -0.168
local terms energy: -367.507054
where:
bonds (distance) C4'-P energy: -92.425
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -88.713
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -59.053
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: 166
Temperature: 1.300000
Total energy: -738.993182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.993182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.993182 (E_RNA)
where:
Base-Base interactions energy: -400.740
where: short stacking energy: -204.259
Base-Backbone interact. energy: 0.761
local terms energy: -339.013367
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -79.220
flat angles P-C4'-P energy: -41.748
tors. eta vs tors. theta energy: -30.038
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: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -582.025643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.025643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.025643 (E_RNA)
where:
Base-Base interactions energy: -322.823
where: short stacking energy: -177.058
Base-Backbone interact. energy: -0.607
local terms energy: -258.595500
where:
bonds (distance) C4'-P energy: -75.380
bonds (distance) P-C4' energy: -71.601
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1712.902020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.902020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.902020 (E_RNA)
where:
Base-Base interactions energy: -1197.605
where: short stacking energy: -498.490
Base-Backbone interact. energy: -2.325
local terms energy: -512.972713
where:
bonds (distance) C4'-P energy: -105.119
bonds (distance) P-C4' energy: -103.356
flat angles C4'-P-C4' energy: -107.559
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -132.812
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: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1658.593474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.593474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.593474 (E_RNA)
where:
Base-Base interactions energy: -1148.511
where: short stacking energy: -467.021
Base-Backbone interact. energy: -2.167
local terms energy: -507.916309
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -66.598
tors. eta vs tors. theta energy: -130.878
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1580.119819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.119819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.119819 (E_RNA)
where:
Base-Base interactions energy: -1058.128
where: short stacking energy: -479.183
Base-Backbone interact. energy: 2.575
local terms energy: -524.566228
where:
bonds (distance) C4'-P energy: -102.085
bonds (distance) P-C4' energy: -94.974
flat angles C4'-P-C4' energy: -110.609
flat angles P-C4'-P energy: -64.874
tors. eta vs tors. theta energy: -152.024
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: 167
Temperature: 1.050000
Total energy: -1439.215948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.215948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.215948 (E_RNA)
where:
Base-Base interactions energy: -975.520
where: short stacking energy: -393.064
Base-Backbone interact. energy: -1.649
local terms energy: -462.046941
where:
bonds (distance) C4'-P energy: -100.090
bonds (distance) P-C4' energy: -99.445
flat angles C4'-P-C4' energy: -93.356
flat angles P-C4'-P energy: -63.037
tors. eta vs tors. theta energy: -106.119
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1395.350800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.350800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.350800 (E_RNA)
where:
Base-Base interactions energy: -949.376
where: short stacking energy: -418.385
Base-Backbone interact. energy: -1.696
local terms energy: -444.278496
where:
bonds (distance) C4'-P energy: -77.150
bonds (distance) P-C4' energy: -77.187
flat angles C4'-P-C4' energy: -106.754
flat angles P-C4'-P energy: -58.770
tors. eta vs tors. theta energy: -124.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1289.196156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.196156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.196156 (E_RNA)
where:
Base-Base interactions energy: -896.884
where: short stacking energy: -385.821
Base-Backbone interact. energy: 3.712
local terms energy: -396.024136
where:
bonds (distance) C4'-P energy: -69.624
bonds (distance) P-C4' energy: -75.083
flat angles C4'-P-C4' energy: -93.263
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -99.014
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1181.149481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.149481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.149481 (E_RNA)
where:
Base-Base interactions energy: -801.538
where: short stacking energy: -324.428
Base-Backbone interact. energy: -0.054
local terms energy: -379.558251
where:
bonds (distance) C4'-P energy: -79.111
bonds (distance) P-C4' energy: -84.378
flat angles C4'-P-C4' energy: -79.320
flat angles P-C4'-P energy: -62.891
tors. eta vs tors. theta energy: -73.858
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: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -964.042172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.042172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.042172 (E_RNA)
where:
Base-Base interactions energy: -629.789
where: short stacking energy: -280.758
Base-Backbone interact. energy: 0.308
local terms energy: -334.560979
where:
bonds (distance) C4'-P energy: -85.498
bonds (distance) P-C4' energy: -83.091
flat angles C4'-P-C4' energy: -85.549
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -52.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -731.532293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.532293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.532293 (E_RNA)
where:
Base-Base interactions energy: -423.040
where: short stacking energy: -237.543
Base-Backbone interact. energy: -2.495
local terms energy: -305.997722
where:
bonds (distance) C4'-P energy: -76.434
bonds (distance) P-C4' energy: -73.371
flat angles C4'-P-C4' energy: -78.372
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -21.363
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: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -578.642764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.642764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.642764 (E_RNA)
where:
Base-Base interactions energy: -313.401
where: short stacking energy: -166.158
Base-Backbone interact. energy: -1.898
local terms energy: -263.343379
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -86.597
flat angles C4'-P-C4' energy: -83.191
flat angles P-C4'-P energy: -44.944
tors. eta vs tors. theta energy: 6.308
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: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1679.760543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.760543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.760543 (E_RNA)
where:
Base-Base interactions energy: -1154.585
where: short stacking energy: -499.604
Base-Backbone interact. energy: 0.116
local terms energy: -525.292287
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -100.937
flat angles C4'-P-C4' energy: -111.373
flat angles P-C4'-P energy: -79.112
tors. eta vs tors. theta energy: -135.450
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: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1666.613753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.613753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.613753 (E_RNA)
where:
Base-Base interactions energy: -1163.341
where: short stacking energy: -489.124
Base-Backbone interact. energy: -2.581
local terms energy: -500.691117
where:
bonds (distance) C4'-P energy: -90.485
bonds (distance) P-C4' energy: -101.501
flat angles C4'-P-C4' energy: -111.786
flat angles P-C4'-P energy: -57.627
tors. eta vs tors. theta energy: -139.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1593.292518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.292518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.292518 (E_RNA)
where:
Base-Base interactions energy: -1098.440
where: short stacking energy: -501.691
Base-Backbone interact. energy: -2.576
local terms energy: -492.277174
where:
bonds (distance) C4'-P energy: -89.019
bonds (distance) P-C4' energy: -82.602
flat angles C4'-P-C4' energy: -101.223
flat angles P-C4'-P energy: -65.351
tors. eta vs tors. theta energy: -154.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1444.352042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.352042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.352042 (E_RNA)
where:
Base-Base interactions energy: -990.783
where: short stacking energy: -409.101
Base-Backbone interact. energy: 5.363
local terms energy: -458.931870
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -93.030
flat angles C4'-P-C4' energy: -105.222
flat angles P-C4'-P energy: -67.211
tors. eta vs tors. theta energy: -109.521
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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1428.409028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.409028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.409028 (E_RNA)
where:
Base-Base interactions energy: -966.274
where: short stacking energy: -423.178
Base-Backbone interact. energy: -2.254
local terms energy: -459.881543
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -88.350
flat angles C4'-P-C4' energy: -93.308
flat angles P-C4'-P energy: -62.663
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: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1274.901720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.901720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.901720 (E_RNA)
where:
Base-Base interactions energy: -880.241
where: short stacking energy: -359.181
Base-Backbone interact. energy: 0.840
local terms energy: -395.500818
where:
bonds (distance) C4'-P energy: -83.930
bonds (distance) P-C4' energy: -92.422
flat angles C4'-P-C4' energy: -81.720
flat angles P-C4'-P energy: -56.875
tors. eta vs tors. theta energy: -80.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1220.777462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.777462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.777462 (E_RNA)
where:
Base-Base interactions energy: -828.379
where: short stacking energy: -353.722
Base-Backbone interact. energy: -1.664
local terms energy: -390.734485
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -88.220
flat angles C4'-P-C4' energy: -105.906
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1040.136819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.136819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.136819 (E_RNA)
where:
Base-Base interactions energy: -677.227
where: short stacking energy: -315.382
Base-Backbone interact. energy: -2.379
local terms energy: -360.531216
where:
bonds (distance) C4'-P energy: -73.249
bonds (distance) P-C4' energy: -82.417
flat angles C4'-P-C4' energy: -84.013
flat angles P-C4'-P energy: -61.307
tors. eta vs tors. theta energy: -59.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -725.076587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.076587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.076587 (E_RNA)
where:
Base-Base interactions energy: -398.984
where: short stacking energy: -198.193
Base-Backbone interact. energy: -2.665
local terms energy: -323.428095
where:
bonds (distance) C4'-P energy: -84.461
bonds (distance) P-C4' energy: -86.915
flat angles C4'-P-C4' energy: -78.827
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -21.455
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: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -652.089180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.089180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.089180 (E_RNA)
where:
Base-Base interactions energy: -379.740
where: short stacking energy: -215.712
Base-Backbone interact. energy: 0.843
local terms energy: -273.192727
where:
bonds (distance) C4'-P energy: -85.683
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -80.905
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1677.819951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.819951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.819951 (E_RNA)
where:
Base-Base interactions energy: -1137.711
where: short stacking energy: -477.404
Base-Backbone interact. energy: -5.786
local terms energy: -534.322936
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -112.741
flat angles P-C4'-P energy: -73.375
tors. eta vs tors. theta energy: -145.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1679.507500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.507500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.507500 (E_RNA)
where:
Base-Base interactions energy: -1167.269
where: short stacking energy: -490.678
Base-Backbone interact. energy: 2.862
local terms energy: -515.100872
where:
bonds (distance) C4'-P energy: -97.449
bonds (distance) P-C4' energy: -92.782
flat angles C4'-P-C4' energy: -107.873
flat angles P-C4'-P energy: -78.562
tors. eta vs tors. theta energy: -138.436
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1602.786420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.786420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.786420 (E_RNA)
where:
Base-Base interactions energy: -1106.410
where: short stacking energy: -488.226
Base-Backbone interact. energy: -1.163
local terms energy: -495.212979
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -88.491
flat angles C4'-P-C4' energy: -106.018
flat angles P-C4'-P energy: -71.570
tors. eta vs tors. theta energy: -143.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1470.625483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.625483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.625483 (E_RNA)
where:
Base-Base interactions energy: -1019.159
where: short stacking energy: -412.901
Base-Backbone interact. energy: -1.123
local terms energy: -450.343535
where:
bonds (distance) C4'-P energy: -75.400
bonds (distance) P-C4' energy: -103.254
flat angles C4'-P-C4' energy: -103.436
flat angles P-C4'-P energy: -66.319
tors. eta vs tors. theta energy: -101.934
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1434.764227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.764227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.764227 (E_RNA)
where:
Base-Base interactions energy: -969.989
where: short stacking energy: -414.752
Base-Backbone interact. energy: -2.026
local terms energy: -462.748899
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -90.623
flat angles P-C4'-P energy: -71.077
tors. eta vs tors. theta energy: -111.763
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: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1336.631183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.631183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.631183 (E_RNA)
where:
Base-Base interactions energy: -896.494
where: short stacking energy: -401.479
Base-Backbone interact. energy: -2.304
local terms energy: -437.832933
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -81.744
flat angles C4'-P-C4' energy: -92.225
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -111.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1211.204691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.204691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.204691 (E_RNA)
where:
Base-Base interactions energy: -846.985
where: short stacking energy: -357.441
Base-Backbone interact. energy: -2.178
local terms energy: -362.041780
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -80.079
flat angles C4'-P-C4' energy: -93.931
flat angles P-C4'-P energy: -54.469
tors. eta vs tors. theta energy: -71.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1072.282187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.282187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.282187 (E_RNA)
where:
Base-Base interactions energy: -710.111
where: short stacking energy: -302.786
Base-Backbone interact. energy: -3.873
local terms energy: -358.298728
where:
bonds (distance) C4'-P energy: -82.632
bonds (distance) P-C4' energy: -73.588
flat angles C4'-P-C4' energy: -79.198
flat angles P-C4'-P energy: -58.442
tors. eta vs tors. theta energy: -64.439
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: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -698.877764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.877764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.877764 (E_RNA)
where:
Base-Base interactions energy: -419.949
where: short stacking energy: -192.585
Base-Backbone interact. energy: -1.283
local terms energy: -277.646130
where:
bonds (distance) C4'-P energy: -61.858
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -75.977
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -12.913
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: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -567.069347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.069347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.069347 (E_RNA)
where:
Base-Base interactions energy: -295.891
where: short stacking energy: -159.262
Base-Backbone interact. energy: 1.005
local terms energy: -272.183427
where:
bonds (distance) C4'-P energy: -80.509
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -78.748
flat angles P-C4'-P energy: -37.167
tors. eta vs tors. theta energy: 7.876
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: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1710.824816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.824816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.824816 (E_RNA)
where:
Base-Base interactions energy: -1188.629
where: short stacking energy: -500.555
Base-Backbone interact. energy: -3.982
local terms energy: -518.213494
where:
bonds (distance) C4'-P energy: -88.131
bonds (distance) P-C4' energy: -103.637
flat angles C4'-P-C4' energy: -113.799
flat angles P-C4'-P energy: -70.080
tors. eta vs tors. theta energy: -142.568
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1689.585480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.585480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.585480 (E_RNA)
where:
Base-Base interactions energy: -1177.883
where: short stacking energy: -500.128
Base-Backbone interact. energy: -2.956
local terms energy: -508.746972
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -96.205
flat angles C4'-P-C4' energy: -105.404
flat angles P-C4'-P energy: -64.579
tors. eta vs tors. theta energy: -140.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1561.480309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.480309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.480309 (E_RNA)
where:
Base-Base interactions energy: -1074.741
where: short stacking energy: -502.285
Base-Backbone interact. energy: -1.547
local terms energy: -485.192200
where:
bonds (distance) C4'-P energy: -78.792
bonds (distance) P-C4' energy: -97.573
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -60.719
tors. eta vs tors. theta energy: -143.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1467.580520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.580520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.580520 (E_RNA)
where:
Base-Base interactions energy: -1022.701
where: short stacking energy: -404.782
Base-Backbone interact. energy: -3.251
local terms energy: -441.629316
where:
bonds (distance) C4'-P energy: -94.583
bonds (distance) P-C4' energy: -85.197
flat angles C4'-P-C4' energy: -104.078
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -109.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1437.053167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.053167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.053167 (E_RNA)
where:
Base-Base interactions energy: -990.252
where: short stacking energy: -436.532
Base-Backbone interact. energy: -0.870
local terms energy: -445.931765
where:
bonds (distance) C4'-P energy: -88.021
bonds (distance) P-C4' energy: -72.879
flat angles C4'-P-C4' energy: -103.066
flat angles P-C4'-P energy: -62.527
tors. eta vs tors. theta energy: -119.440
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: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1326.864943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.864943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.864943 (E_RNA)
where:
Base-Base interactions energy: -915.202
where: short stacking energy: -373.992
Base-Backbone interact. energy: -1.043
local terms energy: -410.619669
where:
bonds (distance) C4'-P energy: -92.080
bonds (distance) P-C4' energy: -71.482
flat angles C4'-P-C4' energy: -83.559
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: -94.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1241.490033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.490033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.490033 (E_RNA)
where:
Base-Base interactions energy: -842.887
where: short stacking energy: -348.772
Base-Backbone interact. energy: -2.807
local terms energy: -395.795413
where:
bonds (distance) C4'-P energy: -80.723
bonds (distance) P-C4' energy: -75.575
flat angles C4'-P-C4' energy: -93.954
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -96.597
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: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1064.038981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.038981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.038981 (E_RNA)
where:
Base-Base interactions energy: -697.270
where: short stacking energy: -309.392
Base-Backbone interact. energy: -3.720
local terms energy: -363.048818
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -78.676
flat angles C4'-P-C4' energy: -87.825
flat angles P-C4'-P energy: -62.201
tors. eta vs tors. theta energy: -64.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -659.084939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.084939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.084939 (E_RNA)
where:
Base-Base interactions energy: -365.932
where: short stacking energy: -192.348
Base-Backbone interact. energy: -1.297
local terms energy: -291.856016
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -77.128
flat angles C4'-P-C4' energy: -73.344
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -692.389547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.389547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.389547 (E_RNA)
where:
Base-Base interactions energy: -395.887
where: short stacking energy: -214.167
Base-Backbone interact. energy: 0.592
local terms energy: -297.094501
where:
bonds (distance) C4'-P energy: -82.937
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -72.044
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -18.305
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: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1682.304713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.304713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.304713 (E_RNA)
where:
Base-Base interactions energy: -1155.636
where: short stacking energy: -498.891
Base-Backbone interact. energy: -2.257
local terms energy: -524.412082
where:
bonds (distance) C4'-P energy: -107.197
bonds (distance) P-C4' energy: -103.876
flat angles C4'-P-C4' energy: -95.869
flat angles P-C4'-P energy: -69.952
tors. eta vs tors. theta energy: -147.519
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1685.424310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.424310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.424310 (E_RNA)
where:
Base-Base interactions energy: -1177.146
where: short stacking energy: -503.727
Base-Backbone interact. energy: -2.174
local terms energy: -506.104324
where:
bonds (distance) C4'-P energy: -93.721
bonds (distance) P-C4' energy: -85.669
flat angles C4'-P-C4' energy: -107.042
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -149.385
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1584.518578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.518578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.518578 (E_RNA)
where:
Base-Base interactions energy: -1071.485
where: short stacking energy: -474.911
Base-Backbone interact. energy: 0.773
local terms energy: -513.806305
where:
bonds (distance) C4'-P energy: -87.570
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -107.580
flat angles P-C4'-P energy: -77.748
tors. eta vs tors. theta energy: -139.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1489.781134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.781134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.781134 (E_RNA)
where:
Base-Base interactions energy: -1016.323
where: short stacking energy: -408.725
Base-Backbone interact. energy: -2.281
local terms energy: -471.177371
where:
bonds (distance) C4'-P energy: -92.313
bonds (distance) P-C4' energy: -90.183
flat angles C4'-P-C4' energy: -102.964
flat angles P-C4'-P energy: -65.309
tors. eta vs tors. theta energy: -120.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1409.352450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.352450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.352450 (E_RNA)
where:
Base-Base interactions energy: -943.681
where: short stacking energy: -408.292
Base-Backbone interact. energy: -0.594
local terms energy: -465.077202
where:
bonds (distance) C4'-P energy: -86.965
bonds (distance) P-C4' energy: -107.373
flat angles C4'-P-C4' energy: -90.509
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -117.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1312.942784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.942784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.942784 (E_RNA)
where:
Base-Base interactions energy: -877.513
where: short stacking energy: -394.344
Base-Backbone interact. energy: -0.621
local terms energy: -434.809414
where:
bonds (distance) C4'-P energy: -84.449
bonds (distance) P-C4' energy: -90.484
flat angles C4'-P-C4' energy: -92.720
flat angles P-C4'-P energy: -66.321
tors. eta vs tors. theta energy: -100.835
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: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1192.317277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.317277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.317277 (E_RNA)
where:
Base-Base interactions energy: -809.664
where: short stacking energy: -313.382
Base-Backbone interact. energy: -2.001
local terms energy: -380.652293
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -92.260
flat angles P-C4'-P energy: -53.860
tors. eta vs tors. theta energy: -76.866
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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1095.386810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.386810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.386810 (E_RNA)
where:
Base-Base interactions energy: -744.875
where: short stacking energy: -300.000
Base-Backbone interact. energy: -2.021
local terms energy: -348.490752
where:
bonds (distance) C4'-P energy: -65.653
bonds (distance) P-C4' energy: -83.237
flat angles C4'-P-C4' energy: -85.382
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -62.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -658.957824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.957824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.957824 (E_RNA)
where:
Base-Base interactions energy: -361.902
where: short stacking energy: -192.589
Base-Backbone interact. energy: 3.273
local terms energy: -300.328658
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -79.797
flat angles C4'-P-C4' energy: -84.161
flat angles P-C4'-P energy: -45.934
tors. eta vs tors. theta energy: -12.455
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: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -704.323381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.323381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.323381 (E_RNA)
where:
Base-Base interactions energy: -383.522
where: short stacking energy: -194.527
Base-Backbone interact. energy: -0.291
local terms energy: -320.510532
where:
bonds (distance) C4'-P energy: -81.088
bonds (distance) P-C4' energy: -95.087
flat angles C4'-P-C4' energy: -74.073
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1691.297317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.297317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.297317 (E_RNA)
where:
Base-Base interactions energy: -1191.203
where: short stacking energy: -496.531
Base-Backbone interact. energy: -3.499
local terms energy: -496.595077
where:
bonds (distance) C4'-P energy: -94.043
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -67.541
tors. eta vs tors. theta energy: -138.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1668.193053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.193053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.193053 (E_RNA)
where:
Base-Base interactions energy: -1138.035
where: short stacking energy: -465.786
Base-Backbone interact. energy: -5.250
local terms energy: -524.908147
where:
bonds (distance) C4'-P energy: -98.112
bonds (distance) P-C4' energy: -99.956
flat angles C4'-P-C4' energy: -114.858
flat angles P-C4'-P energy: -71.899
tors. eta vs tors. theta energy: -140.083
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1576.496849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.496849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.496849 (E_RNA)
where:
Base-Base interactions energy: -1058.090
where: short stacking energy: -468.469
Base-Backbone interact. energy: -1.763
local terms energy: -516.644035
where:
bonds (distance) C4'-P energy: -92.424
bonds (distance) P-C4' energy: -99.649
flat angles C4'-P-C4' energy: -102.841
flat angles P-C4'-P energy: -75.603
tors. eta vs tors. theta energy: -146.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1462.916560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.916560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.916560 (E_RNA)
where:
Base-Base interactions energy: -1014.590
where: short stacking energy: -414.026
Base-Backbone interact. energy: -0.804
local terms energy: -447.522710
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -91.696
flat angles C4'-P-C4' energy: -91.216
flat angles P-C4'-P energy: -55.364
tors. eta vs tors. theta energy: -116.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1429.311515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.311515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.311515 (E_RNA)
where:
Base-Base interactions energy: -973.401
where: short stacking energy: -405.801
Base-Backbone interact. energy: 0.557
local terms energy: -456.467279
where:
bonds (distance) C4'-P energy: -100.526
bonds (distance) P-C4' energy: -85.647
flat angles C4'-P-C4' energy: -101.383
flat angles P-C4'-P energy: -59.504
tors. eta vs tors. theta energy: -109.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1347.612083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.612083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.612083 (E_RNA)
where:
Base-Base interactions energy: -918.722
where: short stacking energy: -389.148
Base-Backbone interact. energy: 3.878
local terms energy: -432.767604
where:
bonds (distance) C4'-P energy: -90.625
bonds (distance) P-C4' energy: -82.075
flat angles C4'-P-C4' energy: -96.615
flat angles P-C4'-P energy: -62.470
tors. eta vs tors. theta energy: -100.982
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: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1190.701958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.701958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.701958 (E_RNA)
where:
Base-Base interactions energy: -819.936
where: short stacking energy: -351.789
Base-Backbone interact. energy: -1.042
local terms energy: -369.723909
where:
bonds (distance) C4'-P energy: -80.871
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -91.088
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: -82.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1109.565841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.565841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.565841 (E_RNA)
where:
Base-Base interactions energy: -752.008
where: short stacking energy: -321.252
Base-Backbone interact. energy: -2.577
local terms energy: -354.980903
where:
bonds (distance) C4'-P energy: -81.253
bonds (distance) P-C4' energy: -79.983
flat angles C4'-P-C4' energy: -83.827
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -70.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -731.982162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.982162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.982162 (E_RNA)
where:
Base-Base interactions energy: -421.645
where: short stacking energy: -207.452
Base-Backbone interact. energy: 0.243
local terms energy: -310.579924
where:
bonds (distance) C4'-P energy: -74.227
bonds (distance) P-C4' energy: -91.651
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -600.661011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.661011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.661011 (E_RNA)
where:
Base-Base interactions energy: -332.100
where: short stacking energy: -195.738
Base-Backbone interact. energy: -2.327
local terms energy: -266.234728
where:
bonds (distance) C4'-P energy: -69.470
bonds (distance) P-C4' energy: -64.113
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -47.533
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1686.141341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.141341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.141341 (E_RNA)
where:
Base-Base interactions energy: -1167.618
where: short stacking energy: -504.323
Base-Backbone interact. energy: 0.695
local terms energy: -519.218137
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -104.809
flat angles C4'-P-C4' energy: -110.152
flat angles P-C4'-P energy: -72.697
tors. eta vs tors. theta energy: -140.233
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: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1645.676937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.676937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.676937 (E_RNA)
where:
Base-Base interactions energy: -1134.594
where: short stacking energy: -455.887
Base-Backbone interact. energy: -4.344
local terms energy: -506.739161
where:
bonds (distance) C4'-P energy: -97.366
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -110.368
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: -124.347
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: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1582.584930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.584930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.584930 (E_RNA)
where:
Base-Base interactions energy: -1085.043
where: short stacking energy: -487.261
Base-Backbone interact. energy: -0.927
local terms energy: -496.614861
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -97.507
flat angles C4'-P-C4' energy: -106.369
flat angles P-C4'-P energy: -60.128
tors. eta vs tors. theta energy: -144.711
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1490.118164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.118164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.118164 (E_RNA)
where:
Base-Base interactions energy: -1048.376
where: short stacking energy: -430.659
Base-Backbone interact. energy: -0.935
local terms energy: -440.806822
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -91.898
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -106.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1399.526460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.526460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.526460 (E_RNA)
where:
Base-Base interactions energy: -985.659
where: short stacking energy: -438.721
Base-Backbone interact. energy: 2.032
local terms energy: -415.899534
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -78.157
flat angles C4'-P-C4' energy: -99.196
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: -113.544
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: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1380.998010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.998010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.998010 (E_RNA)
where:
Base-Base interactions energy: -928.649
where: short stacking energy: -384.306
Base-Backbone interact. energy: -1.659
local terms energy: -450.689889
where:
bonds (distance) C4'-P energy: -78.797
bonds (distance) P-C4' energy: -111.320
flat angles C4'-P-C4' energy: -104.980
flat angles P-C4'-P energy: -61.850
tors. eta vs tors. theta energy: -93.743
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: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1168.264317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.264317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.264317 (E_RNA)
where:
Base-Base interactions energy: -768.637
where: short stacking energy: -343.416
Base-Backbone interact. energy: 0.255
local terms energy: -399.882355
where:
bonds (distance) C4'-P energy: -81.923
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -111.211
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -69.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1115.181180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.181180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.181180 (E_RNA)
where:
Base-Base interactions energy: -753.184
where: short stacking energy: -320.819
Base-Backbone interact. energy: -2.523
local terms energy: -359.473429
where:
bonds (distance) C4'-P energy: -75.476
bonds (distance) P-C4' energy: -96.351
flat angles C4'-P-C4' energy: -75.022
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -63.050
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: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -712.598581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.598581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.598581 (E_RNA)
where:
Base-Base interactions energy: -426.875
where: short stacking energy: -200.758
Base-Backbone interact. energy: -1.601
local terms energy: -284.122664
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -96.114
flat angles C4'-P-C4' energy: -74.619
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -597.109809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.109809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.109809 (E_RNA)
where:
Base-Base interactions energy: -323.919
where: short stacking energy: -181.358
Base-Backbone interact. energy: -2.225
local terms energy: -270.965612
where:
bonds (distance) C4'-P energy: -69.945
bonds (distance) P-C4' energy: -80.723
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1693.207415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.207415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.207415 (E_RNA)
where:
Base-Base interactions energy: -1173.302
where: short stacking energy: -497.221
Base-Backbone interact. energy: -1.774
local terms energy: -518.131609
where:
bonds (distance) C4'-P energy: -91.972
bonds (distance) P-C4' energy: -99.006
flat angles C4'-P-C4' energy: -102.082
flat angles P-C4'-P energy: -81.612
tors. eta vs tors. theta energy: -143.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1665.181899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.181899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.181899 (E_RNA)
where:
Base-Base interactions energy: -1153.164
where: short stacking energy: -499.649
Base-Backbone interact. energy: 0.544
local terms energy: -512.561643
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -99.810
flat angles C4'-P-C4' energy: -110.609
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -142.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1597.012075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.012075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.012075 (E_RNA)
where:
Base-Base interactions energy: -1064.100
where: short stacking energy: -477.952
Base-Backbone interact. energy: -1.046
local terms energy: -531.865814
where:
bonds (distance) C4'-P energy: -104.480
bonds (distance) P-C4' energy: -91.624
flat angles C4'-P-C4' energy: -110.953
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -147.938
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: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1484.769514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.769514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.769514 (E_RNA)
where:
Base-Base interactions energy: -1037.591
where: short stacking energy: -446.675
Base-Backbone interact. energy: -2.141
local terms energy: -445.037470
where:
bonds (distance) C4'-P energy: -95.622
bonds (distance) P-C4' energy: -87.013
flat angles C4'-P-C4' energy: -90.208
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -121.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1443.199508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.199508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.199508 (E_RNA)
where:
Base-Base interactions energy: -988.852
where: short stacking energy: -413.952
Base-Backbone interact. energy: 1.449
local terms energy: -455.796860
where:
bonds (distance) C4'-P energy: -88.498
bonds (distance) P-C4' energy: -87.530
flat angles C4'-P-C4' energy: -101.905
flat angles P-C4'-P energy: -63.564
tors. eta vs tors. theta energy: -114.300
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: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1367.761160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.761160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.761160 (E_RNA)
where:
Base-Base interactions energy: -928.808
where: short stacking energy: -399.668
Base-Backbone interact. energy: 0.023
local terms energy: -438.975581
where:
bonds (distance) C4'-P energy: -97.737
bonds (distance) P-C4' energy: -94.114
flat angles C4'-P-C4' energy: -96.275
flat angles P-C4'-P energy: -49.947
tors. eta vs tors. theta energy: -100.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1128.573702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.573702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.573702 (E_RNA)
where:
Base-Base interactions energy: -770.587
where: short stacking energy: -314.970
Base-Backbone interact. energy: -1.519
local terms energy: -356.467494
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -62.262
flat angles C4'-P-C4' energy: -98.250
flat angles P-C4'-P energy: -58.810
tors. eta vs tors. theta energy: -56.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1101.397457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.397457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.397457 (E_RNA)
where:
Base-Base interactions energy: -753.970
where: short stacking energy: -295.742
Base-Backbone interact. energy: -2.168
local terms energy: -345.258832
where:
bonds (distance) C4'-P energy: -79.073
bonds (distance) P-C4' energy: -73.919
flat angles C4'-P-C4' energy: -75.878
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -57.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -722.465254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.465254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.465254 (E_RNA)
where:
Base-Base interactions energy: -403.381
where: short stacking energy: -206.014
Base-Backbone interact. energy: -1.983
local terms energy: -317.101476
where:
bonds (distance) C4'-P energy: -78.867
bonds (distance) P-C4' energy: -79.020
flat angles C4'-P-C4' energy: -87.442
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -598.898590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.898590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.898590 (E_RNA)
where:
Base-Base interactions energy: -311.857
where: short stacking energy: -187.001
Base-Backbone interact. energy: 0.034
local terms energy: -287.075452
where:
bonds (distance) C4'-P energy: -85.627
bonds (distance) P-C4' energy: -77.317
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -39.712
tors. eta vs tors. theta energy: -7.157
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: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1686.487597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.487597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.487597 (E_RNA)
where:
Base-Base interactions energy: -1166.387
where: short stacking energy: -509.885
Base-Backbone interact. energy: -2.001
local terms energy: -518.099710
where:
bonds (distance) C4'-P energy: -95.372
bonds (distance) P-C4' energy: -99.680
flat angles C4'-P-C4' energy: -109.675
flat angles P-C4'-P energy: -64.499
tors. eta vs tors. theta energy: -148.874
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: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1683.086331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.086331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.086331 (E_RNA)
where:
Base-Base interactions energy: -1167.476
where: short stacking energy: -492.969
Base-Backbone interact. energy: -4.109
local terms energy: -511.501591
where:
bonds (distance) C4'-P energy: -93.218
bonds (distance) P-C4' energy: -100.428
flat angles C4'-P-C4' energy: -105.678
flat angles P-C4'-P energy: -75.541
tors. eta vs tors. theta energy: -136.635
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1600.076261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.076261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.076261 (E_RNA)
where:
Base-Base interactions energy: -1068.945
where: short stacking energy: -493.144
Base-Backbone interact. energy: -0.901
local terms energy: -530.229483
where:
bonds (distance) C4'-P energy: -96.822
bonds (distance) P-C4' energy: -100.158
flat angles C4'-P-C4' energy: -115.721
flat angles P-C4'-P energy: -72.567
tors. eta vs tors. theta energy: -144.962
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: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1447.360032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.360032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.360032 (E_RNA)
where:
Base-Base interactions energy: -988.554
where: short stacking energy: -429.005
Base-Backbone interact. energy: -2.379
local terms energy: -456.427372
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -85.250
flat angles C4'-P-C4' energy: -103.509
flat angles P-C4'-P energy: -63.328
tors. eta vs tors. theta energy: -116.080
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: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1430.811266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.811266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.811266 (E_RNA)
where:
Base-Base interactions energy: -975.554
where: short stacking energy: -416.571
Base-Backbone interact. energy: -0.191
local terms energy: -455.067192
where:
bonds (distance) C4'-P energy: -91.519
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -87.864
flat angles P-C4'-P energy: -66.545
tors. eta vs tors. theta energy: -109.028
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: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1408.754239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.754239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.754239 (E_RNA)
where:
Base-Base interactions energy: -981.878
where: short stacking energy: -412.724
Base-Backbone interact. energy: 0.232
local terms energy: -427.108205
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -83.874
flat angles C4'-P-C4' energy: -88.567
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -112.626
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: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1137.646911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.646911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.646911 (E_RNA)
where:
Base-Base interactions energy: -768.105
where: short stacking energy: -329.112
Base-Backbone interact. energy: -1.767
local terms energy: -367.774609
where:
bonds (distance) C4'-P energy: -82.011
bonds (distance) P-C4' energy: -78.582
flat angles C4'-P-C4' energy: -77.331
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: -79.799
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1053.578376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.578376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.578376 (E_RNA)
where:
Base-Base interactions energy: -703.312
where: short stacking energy: -287.037
Base-Backbone interact. energy: -2.074
local terms energy: -348.192678
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -76.476
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: -53.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -765.172591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.172591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.172591 (E_RNA)
where:
Base-Base interactions energy: -453.198
where: short stacking energy: -215.148
Base-Backbone interact. energy: -2.525
local terms energy: -309.449711
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -83.733
flat angles C4'-P-C4' energy: -70.853
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -568.405687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.405687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.405687 (E_RNA)
where:
Base-Base interactions energy: -319.053
where: short stacking energy: -170.624
Base-Backbone interact. energy: 1.092
local terms energy: -250.443901
where:
bonds (distance) C4'-P energy: -57.522
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -7.594
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: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1690.352902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.352902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.352902 (E_RNA)
where:
Base-Base interactions energy: -1166.396
where: short stacking energy: -485.005
Base-Backbone interact. energy: -1.770
local terms energy: -522.186851
where:
bonds (distance) C4'-P energy: -103.387
bonds (distance) P-C4' energy: -104.944
flat angles C4'-P-C4' energy: -113.410
flat angles P-C4'-P energy: -73.535
tors. eta vs tors. theta energy: -126.911
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: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1652.773038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.773038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.773038 (E_RNA)
where:
Base-Base interactions energy: -1136.691
where: short stacking energy: -480.185
Base-Backbone interact. energy: -3.135
local terms energy: -512.947278
where:
bonds (distance) C4'-P energy: -93.893
bonds (distance) P-C4' energy: -100.290
flat angles C4'-P-C4' energy: -110.466
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -137.842
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1590.429063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.429063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.429063 (E_RNA)
where:
Base-Base interactions energy: -1075.529
where: short stacking energy: -486.238
Base-Backbone interact. energy: -0.735
local terms energy: -514.164780
where:
bonds (distance) C4'-P energy: -90.995
bonds (distance) P-C4' energy: -90.601
flat angles C4'-P-C4' energy: -108.452
flat angles P-C4'-P energy: -69.170
tors. eta vs tors. theta energy: -154.946
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: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1480.057192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.057192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.057192 (E_RNA)
where:
Base-Base interactions energy: -1013.571
where: short stacking energy: -434.308
Base-Backbone interact. energy: -1.218
local terms energy: -465.267526
where:
bonds (distance) C4'-P energy: -84.376
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -107.091
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -127.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1435.553327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.553327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.553327 (E_RNA)
where:
Base-Base interactions energy: -985.131
where: short stacking energy: -414.438
Base-Backbone interact. energy: -5.306
local terms energy: -445.115613
where:
bonds (distance) C4'-P energy: -91.301
bonds (distance) P-C4' energy: -94.079
flat angles C4'-P-C4' energy: -100.955
flat angles P-C4'-P energy: -48.090
tors. eta vs tors. theta energy: -110.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1403.496178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.496178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.496178 (E_RNA)
where:
Base-Base interactions energy: -992.833
where: short stacking energy: -419.204
Base-Backbone interact. energy: -0.671
local terms energy: -409.992795
where:
bonds (distance) C4'-P energy: -81.458
bonds (distance) P-C4' energy: -80.343
flat angles C4'-P-C4' energy: -82.305
flat angles P-C4'-P energy: -52.677
tors. eta vs tors. theta energy: -113.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1152.609495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.609495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.609495 (E_RNA)
where:
Base-Base interactions energy: -769.428
where: short stacking energy: -316.229
Base-Backbone interact. energy: -1.638
local terms energy: -381.543879
where:
bonds (distance) C4'-P energy: -76.525
bonds (distance) P-C4' energy: -78.359
flat angles C4'-P-C4' energy: -91.630
flat angles P-C4'-P energy: -61.421
tors. eta vs tors. theta energy: -73.609
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -984.344346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.344346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.344346 (E_RNA)
where:
Base-Base interactions energy: -634.774
where: short stacking energy: -285.218
Base-Backbone interact. energy: -0.164
local terms energy: -349.406393
where:
bonds (distance) C4'-P energy: -69.052
bonds (distance) P-C4' energy: -79.466
flat angles C4'-P-C4' energy: -93.949
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -66.656
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: 176
Temperature: 1.300000
Total energy: -749.211216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.211216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.211216 (E_RNA)
where:
Base-Base interactions energy: -455.015
where: short stacking energy: -227.214
Base-Backbone interact. energy: 0.419
local terms energy: -294.615161
where:
bonds (distance) C4'-P energy: -92.893
bonds (distance) P-C4' energy: -60.140
flat angles C4'-P-C4' energy: -72.199
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -36.487
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -601.977659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.977659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.977659 (E_RNA)
where:
Base-Base interactions energy: -324.187
where: short stacking energy: -176.594
Base-Backbone interact. energy: 4.349
local terms energy: -282.139786
where:
bonds (distance) C4'-P energy: -73.215
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -75.926
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1709.897691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.897691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.897691 (E_RNA)
where:
Base-Base interactions energy: -1194.109
where: short stacking energy: -497.156
Base-Backbone interact. energy: -3.297
local terms energy: -512.491801
where:
bonds (distance) C4'-P energy: -92.180
bonds (distance) P-C4' energy: -97.524
flat angles C4'-P-C4' energy: -111.058
flat angles P-C4'-P energy: -71.065
tors. eta vs tors. theta energy: -140.665
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: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1675.614687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.614687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.614687 (E_RNA)
where:
Base-Base interactions energy: -1138.371
where: short stacking energy: -481.846
Base-Backbone interact. energy: -7.117
local terms energy: -530.127299
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -100.631
flat angles C4'-P-C4' energy: -112.597
flat angles P-C4'-P energy: -82.039
tors. eta vs tors. theta energy: -140.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1588.348159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.348159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.348159 (E_RNA)
where:
Base-Base interactions energy: -1093.781
where: short stacking energy: -490.428
Base-Backbone interact. energy: -0.764
local terms energy: -493.803797
where:
bonds (distance) C4'-P energy: -89.375
bonds (distance) P-C4' energy: -84.553
flat angles C4'-P-C4' energy: -100.866
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -146.096
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: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1489.396989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.396989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.396989 (E_RNA)
where:
Base-Base interactions energy: -1029.202
where: short stacking energy: -425.424
Base-Backbone interact. energy: -0.555
local terms energy: -459.639700
where:
bonds (distance) C4'-P energy: -86.956
bonds (distance) P-C4' energy: -96.260
flat angles C4'-P-C4' energy: -93.909
flat angles P-C4'-P energy: -66.195
tors. eta vs tors. theta energy: -116.320
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: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1435.907477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.907477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.907477 (E_RNA)
where:
Base-Base interactions energy: -979.188
where: short stacking energy: -416.942
Base-Backbone interact. energy: -5.486
local terms energy: -451.232772
where:
bonds (distance) C4'-P energy: -84.740
bonds (distance) P-C4' energy: -91.438
flat angles C4'-P-C4' energy: -93.698
flat angles P-C4'-P energy: -68.144
tors. eta vs tors. theta energy: -113.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1387.973055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.973055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.973055 (E_RNA)
where:
Base-Base interactions energy: -952.279
where: short stacking energy: -408.973
Base-Backbone interact. energy: 0.853
local terms energy: -436.546434
where:
bonds (distance) C4'-P energy: -86.766
bonds (distance) P-C4' energy: -76.730
flat angles C4'-P-C4' energy: -96.433
flat angles P-C4'-P energy: -71.947
tors. eta vs tors. theta energy: -104.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1151.257877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.257877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.257877 (E_RNA)
where:
Base-Base interactions energy: -778.743
where: short stacking energy: -350.228
Base-Backbone interact. energy: -1.345
local terms energy: -371.169117
where:
bonds (distance) C4'-P energy: -90.400
bonds (distance) P-C4' energy: -60.934
flat angles C4'-P-C4' energy: -94.008
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -945.159030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.159030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.159030 (E_RNA)
where:
Base-Base interactions energy: -590.784
where: short stacking energy: -269.878
Base-Backbone interact. energy: -1.687
local terms energy: -352.688456
where:
bonds (distance) C4'-P energy: -78.666
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -81.811
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -54.357
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: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -736.044412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.044412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.044412 (E_RNA)
where:
Base-Base interactions energy: -431.600
where: short stacking energy: -223.888
Base-Backbone interact. energy: -3.874
local terms energy: -300.570323
where:
bonds (distance) C4'-P energy: -77.789
bonds (distance) P-C4' energy: -76.329
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -57.115
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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -602.844865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.844865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.844865 (E_RNA)
where:
Base-Base interactions energy: -294.130
where: short stacking energy: -155.763
Base-Backbone interact. energy: -1.268
local terms energy: -307.446925
where:
bonds (distance) C4'-P energy: -76.737
bonds (distance) P-C4' energy: -89.883
flat angles C4'-P-C4' energy: -84.031
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1709.612302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.612302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.612302 (E_RNA)
where:
Base-Base interactions energy: -1172.071
where: short stacking energy: -489.023
Base-Backbone interact. energy: -1.082
local terms energy: -536.459708
where:
bonds (distance) C4'-P energy: -99.286
bonds (distance) P-C4' energy: -105.636
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -79.845
tors. eta vs tors. theta energy: -137.596
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1646.836261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.836261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.836261 (E_RNA)
where:
Base-Base interactions energy: -1160.563
where: short stacking energy: -489.808
Base-Backbone interact. energy: -3.715
local terms energy: -482.558299
where:
bonds (distance) C4'-P energy: -90.238
bonds (distance) P-C4' energy: -91.107
flat angles C4'-P-C4' energy: -107.162
flat angles P-C4'-P energy: -69.059
tors. eta vs tors. theta energy: -124.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1604.724660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.724660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.724660 (E_RNA)
where:
Base-Base interactions energy: -1095.359
where: short stacking energy: -475.275
Base-Backbone interact. energy: -0.915
local terms energy: -508.450882
where:
bonds (distance) C4'-P energy: -113.647
bonds (distance) P-C4' energy: -83.394
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -58.941
tors. eta vs tors. theta energy: -148.081
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: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1429.713278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.713278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.713278 (E_RNA)
where:
Base-Base interactions energy: -971.022
where: short stacking energy: -418.954
Base-Backbone interact. energy: 1.834
local terms energy: -460.525064
where:
bonds (distance) C4'-P energy: -95.639
bonds (distance) P-C4' energy: -86.768
flat angles C4'-P-C4' energy: -106.360
flat angles P-C4'-P energy: -57.317
tors. eta vs tors. theta energy: -114.441
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: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1388.559515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.559515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.559515 (E_RNA)
where:
Base-Base interactions energy: -964.040
where: short stacking energy: -413.884
Base-Backbone interact. energy: 0.609
local terms energy: -425.128505
where:
bonds (distance) C4'-P energy: -85.167
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -90.608
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -103.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1413.441196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.441196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.441196 (E_RNA)
where:
Base-Base interactions energy: -952.560
where: short stacking energy: -422.400
Base-Backbone interact. energy: -1.298
local terms energy: -459.583004
where:
bonds (distance) C4'-P energy: -84.092
bonds (distance) P-C4' energy: -90.628
flat angles C4'-P-C4' energy: -103.005
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -111.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1168.426137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.426137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.426137 (E_RNA)
where:
Base-Base interactions energy: -777.181
where: short stacking energy: -336.350
Base-Backbone interact. energy: -1.838
local terms energy: -389.407275
where:
bonds (distance) C4'-P energy: -87.694
bonds (distance) P-C4' energy: -83.461
flat angles C4'-P-C4' energy: -85.454
flat angles P-C4'-P energy: -54.857
tors. eta vs tors. theta energy: -77.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -897.262992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.262992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.262992 (E_RNA)
where:
Base-Base interactions energy: -538.451
where: short stacking energy: -243.404
Base-Backbone interact. energy: 5.116
local terms energy: -363.928116
where:
bonds (distance) C4'-P energy: -72.817
bonds (distance) P-C4' energy: -74.603
flat angles C4'-P-C4' energy: -92.197
flat angles P-C4'-P energy: -73.377
tors. eta vs tors. theta energy: -50.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -758.398174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.398174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.398174 (E_RNA)
where:
Base-Base interactions energy: -437.076
where: short stacking energy: -224.350
Base-Backbone interact. energy: -2.152
local terms energy: -319.169884
where:
bonds (distance) C4'-P energy: -66.790
bonds (distance) P-C4' energy: -95.197
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -32.376
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: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -581.206658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.206658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.206658 (E_RNA)
where:
Base-Base interactions energy: -291.251
where: short stacking energy: -162.265
Base-Backbone interact. energy: 0.065
local terms energy: -290.020600
where:
bonds (distance) C4'-P energy: -88.944
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: 11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1688.178404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.178404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.178404 (E_RNA)
where:
Base-Base interactions energy: -1156.887
where: short stacking energy: -507.038
Base-Backbone interact. energy: -2.250
local terms energy: -529.041165
where:
bonds (distance) C4'-P energy: -87.860
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -121.719
flat angles P-C4'-P energy: -82.650
tors. eta vs tors. theta energy: -137.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1659.036707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.036707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.036707 (E_RNA)
where:
Base-Base interactions energy: -1107.612
where: short stacking energy: -509.795
Base-Backbone interact. energy: -1.460
local terms energy: -549.965256
where:
bonds (distance) C4'-P energy: -101.544
bonds (distance) P-C4' energy: -97.147
flat angles C4'-P-C4' energy: -109.230
flat angles P-C4'-P energy: -77.069
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: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1622.097469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.097469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.097469 (E_RNA)
where:
Base-Base interactions energy: -1113.551
where: short stacking energy: -480.883
Base-Backbone interact. energy: -2.679
local terms energy: -505.867027
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -89.936
flat angles C4'-P-C4' energy: -98.883
flat angles P-C4'-P energy: -81.927
tors. eta vs tors. theta energy: -144.747
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: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1454.570937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.570937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.570937 (E_RNA)
where:
Base-Base interactions energy: -996.188
where: short stacking energy: -430.043
Base-Backbone interact. energy: -1.426
local terms energy: -456.957258
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -87.426
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -57.485
tors. eta vs tors. theta energy: -121.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1427.770742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.770742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.770742 (E_RNA)
where:
Base-Base interactions energy: -966.728
where: short stacking energy: -413.009
Base-Backbone interact. energy: -0.813
local terms energy: -460.230272
where:
bonds (distance) C4'-P energy: -85.231
bonds (distance) P-C4' energy: -83.829
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -66.390
tors. eta vs tors. theta energy: -112.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1407.646663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.646663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.646663 (E_RNA)
where:
Base-Base interactions energy: -952.065
where: short stacking energy: -406.580
Base-Backbone interact. energy: -0.771
local terms energy: -454.810782
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -94.227
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -111.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1157.127002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.127002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.127002 (E_RNA)
where:
Base-Base interactions energy: -768.001
where: short stacking energy: -337.051
Base-Backbone interact. energy: 1.544
local terms energy: -390.670085
where:
bonds (distance) C4'-P energy: -78.805
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -60.926
tors. eta vs tors. theta energy: -75.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -917.316774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.316774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.316774 (E_RNA)
where:
Base-Base interactions energy: -600.399
where: short stacking energy: -260.551
Base-Backbone interact. energy: -0.646
local terms energy: -316.271346
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -80.849
flat angles C4'-P-C4' energy: -66.469
flat angles P-C4'-P energy: -63.339
tors. eta vs tors. theta energy: -51.246
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -739.908361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.908361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.908361 (E_RNA)
where:
Base-Base interactions energy: -408.260
where: short stacking energy: -210.523
Base-Backbone interact. energy: 0.509
local terms energy: -332.157275
where:
bonds (distance) C4'-P energy: -70.396
bonds (distance) P-C4' energy: -85.173
flat angles C4'-P-C4' energy: -81.317
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -41.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -606.811637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.811637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.811637 (E_RNA)
where:
Base-Base interactions energy: -307.034
where: short stacking energy: -160.019
Base-Backbone interact. energy: 7.188
local terms energy: -306.965673
where:
bonds (distance) C4'-P energy: -77.730
bonds (distance) P-C4' energy: -87.487
flat angles C4'-P-C4' energy: -76.282
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1698.583703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.583703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.583703 (E_RNA)
where:
Base-Base interactions energy: -1173.561
where: short stacking energy: -508.500
Base-Backbone interact. energy: -2.131
local terms energy: -522.891516
where:
bonds (distance) C4'-P energy: -99.698
bonds (distance) P-C4' energy: -107.065
flat angles C4'-P-C4' energy: -103.969
flat angles P-C4'-P energy: -65.891
tors. eta vs tors. theta energy: -146.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1643.117003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.117003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.117003 (E_RNA)
where:
Base-Base interactions energy: -1115.166
where: short stacking energy: -518.603
Base-Backbone interact. energy: 2.217
local terms energy: -530.168476
where:
bonds (distance) C4'-P energy: -95.983
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -115.755
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -152.762
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: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1609.003927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.003927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.003927 (E_RNA)
where:
Base-Base interactions energy: -1120.600
where: short stacking energy: -471.330
Base-Backbone interact. energy: -0.396
local terms energy: -488.007671
where:
bonds (distance) C4'-P energy: -78.400
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -110.441
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -132.547
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: 180
Temperature: 1.050000
Total energy: -1468.872470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.872470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.872470 (E_RNA)
where:
Base-Base interactions energy: -991.931
where: short stacking energy: -429.003
Base-Backbone interact. energy: -3.506
local terms energy: -473.435023
where:
bonds (distance) C4'-P energy: -90.844
bonds (distance) P-C4' energy: -89.195
flat angles C4'-P-C4' energy: -111.071
flat angles P-C4'-P energy: -58.441
tors. eta vs tors. theta energy: -123.884
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: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1421.762208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.762208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.762208 (E_RNA)
where:
Base-Base interactions energy: -975.825
where: short stacking energy: -420.921
Base-Backbone interact. energy: -1.126
local terms energy: -444.811243
where:
bonds (distance) C4'-P energy: -83.479
bonds (distance) P-C4' energy: -85.561
flat angles C4'-P-C4' energy: -101.583
flat angles P-C4'-P energy: -62.283
tors. eta vs tors. theta energy: -111.905
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: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1382.786254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.786254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.786254 (E_RNA)
where:
Base-Base interactions energy: -959.620
where: short stacking energy: -412.073
Base-Backbone interact. energy: -1.805
local terms energy: -421.360593
where:
bonds (distance) C4'-P energy: -82.231
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -82.817
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -100.265
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1172.281465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.281465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.281465 (E_RNA)
where:
Base-Base interactions energy: -779.680
where: short stacking energy: -344.120
Base-Backbone interact. energy: -1.085
local terms energy: -391.516678
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -96.679
flat angles P-C4'-P energy: -54.277
tors. eta vs tors. theta energy: -91.852
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: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -886.205039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.205039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.205039 (E_RNA)
where:
Base-Base interactions energy: -544.285
where: short stacking energy: -247.642
Base-Backbone interact. energy: -2.894
local terms energy: -339.025923
where:
bonds (distance) C4'-P energy: -74.797
bonds (distance) P-C4' energy: -77.806
flat angles C4'-P-C4' energy: -89.334
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -42.912
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: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -729.994896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.994896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.994896 (E_RNA)
where:
Base-Base interactions energy: -411.010
where: short stacking energy: -225.899
Base-Backbone interact. energy: -1.722
local terms energy: -317.262423
where:
bonds (distance) C4'-P energy: -90.298
bonds (distance) P-C4' energy: -80.347
flat angles C4'-P-C4' energy: -78.178
flat angles P-C4'-P energy: -56.032
tors. eta vs tors. theta energy: -12.407
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: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -586.458871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.458871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.458871 (E_RNA)
where:
Base-Base interactions energy: -319.638
where: short stacking energy: -179.161
Base-Backbone interact. energy: 2.754
local terms energy: -269.574939
where:
bonds (distance) C4'-P energy: -73.854
bonds (distance) P-C4' energy: -79.378
flat angles C4'-P-C4' energy: -74.761
flat angles P-C4'-P energy: -48.026
tors. eta vs tors. theta energy: 6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1691.146247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.146247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.146247 (E_RNA)
where:
Base-Base interactions energy: -1160.104
where: short stacking energy: -505.315
Base-Backbone interact. energy: -2.307
local terms energy: -528.734897
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -105.554
flat angles C4'-P-C4' energy: -114.725
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -145.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1652.051195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.051195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.051195 (E_RNA)
where:
Base-Base interactions energy: -1109.676
where: short stacking energy: -483.701
Base-Backbone interact. energy: -2.331
local terms energy: -540.044332
where:
bonds (distance) C4'-P energy: -105.376
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -103.724
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -152.906
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: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1621.321121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.321121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.321121 (E_RNA)
where:
Base-Base interactions energy: -1130.312
where: short stacking energy: -477.456
Base-Backbone interact. energy: 0.475
local terms energy: -491.484530
where:
bonds (distance) C4'-P energy: -101.571
bonds (distance) P-C4' energy: -86.333
flat angles C4'-P-C4' energy: -99.980
flat angles P-C4'-P energy: -64.068
tors. eta vs tors. theta energy: -139.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1503.611025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.611025 (E_RNA)
where:
Base-Base interactions energy: -1050.294
where: short stacking energy: -440.106
Base-Backbone interact. energy: -1.332
local terms energy: -451.984258
where:
bonds (distance) C4'-P energy: -76.087
bonds (distance) P-C4' energy: -97.619
flat angles C4'-P-C4' energy: -97.166
flat angles P-C4'-P energy: -59.151
tors. eta vs tors. theta energy: -121.961
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: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1421.931430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.931430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.931430 (E_RNA)
where:
Base-Base interactions energy: -963.781
where: short stacking energy: -400.799
Base-Backbone interact. energy: -0.856
local terms energy: -457.294915
where:
bonds (distance) C4'-P energy: -94.232
bonds (distance) P-C4' energy: -89.821
flat angles C4'-P-C4' energy: -90.858
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -109.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1342.131522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.131522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.131522 (E_RNA)
where:
Base-Base interactions energy: -935.749
where: short stacking energy: -415.626
Base-Backbone interact. energy: -0.426
local terms energy: -405.955963
where:
bonds (distance) C4'-P energy: -72.231
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -90.594
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -107.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1151.675299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.675299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.675299 (E_RNA)
where:
Base-Base interactions energy: -743.570
where: short stacking energy: -343.103
Base-Backbone interact. energy: -0.972
local terms energy: -407.133057
where:
bonds (distance) C4'-P energy: -87.485
bonds (distance) P-C4' energy: -83.506
flat angles C4'-P-C4' energy: -109.876
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -71.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -884.468903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.468903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.468903 (E_RNA)
where:
Base-Base interactions energy: -570.880
where: short stacking energy: -270.669
Base-Backbone interact. energy: 2.134
local terms energy: -315.722316
where:
bonds (distance) C4'-P energy: -56.662
bonds (distance) P-C4' energy: -77.462
flat angles C4'-P-C4' energy: -78.699
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -49.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -744.508781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.508781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.508781 (E_RNA)
where:
Base-Base interactions energy: -438.715
where: short stacking energy: -203.373
Base-Backbone interact. energy: -1.773
local terms energy: -304.020929
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -81.793
flat angles C4'-P-C4' energy: -73.432
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -582.198063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.198063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.198063 (E_RNA)
where:
Base-Base interactions energy: -287.334
where: short stacking energy: -150.212
Base-Backbone interact. energy: -1.076
local terms energy: -293.787292
where:
bonds (distance) C4'-P energy: -90.529
bonds (distance) P-C4' energy: -91.342
flat angles C4'-P-C4' energy: -68.584
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1690.396141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.396141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.396141 (E_RNA)
where:
Base-Base interactions energy: -1187.976
where: short stacking energy: -500.602
Base-Backbone interact. energy: -1.080
local terms energy: -501.340729
where:
bonds (distance) C4'-P energy: -103.899
bonds (distance) P-C4' energy: -84.716
flat angles C4'-P-C4' energy: -110.408
flat angles P-C4'-P energy: -68.357
tors. eta vs tors. theta energy: -133.962
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: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1700.437005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.437005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.437005 (E_RNA)
where:
Base-Base interactions energy: -1143.033
where: short stacking energy: -535.054
Base-Backbone interact. energy: -1.876
local terms energy: -555.527575
where:
bonds (distance) C4'-P energy: -93.170
bonds (distance) P-C4' energy: -101.025
flat angles C4'-P-C4' energy: -112.947
flat angles P-C4'-P energy: -72.557
tors. eta vs tors. theta energy: -175.829
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1607.110658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.110658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.110658 (E_RNA)
where:
Base-Base interactions energy: -1112.234
where: short stacking energy: -474.840
Base-Backbone interact. energy: -2.952
local terms energy: -491.924851
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -90.961
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -77.520
tors. eta vs tors. theta energy: -133.654
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: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1486.510089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.510089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.510089 (E_RNA)
where:
Base-Base interactions energy: -1018.492
where: short stacking energy: -417.656
Base-Backbone interact. energy: 0.747
local terms energy: -468.765474
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -105.991
flat angles P-C4'-P energy: -65.546
tors. eta vs tors. theta energy: -117.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1407.086597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.086597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.086597 (E_RNA)
where:
Base-Base interactions energy: -989.971
where: short stacking energy: -423.852
Base-Backbone interact. energy: 4.941
local terms energy: -422.056430
where:
bonds (distance) C4'-P energy: -76.727
bonds (distance) P-C4' energy: -82.514
flat angles C4'-P-C4' energy: -97.753
flat angles P-C4'-P energy: -54.919
tors. eta vs tors. theta energy: -110.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1364.331865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.331865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.331865 (E_RNA)
where:
Base-Base interactions energy: -942.320
where: short stacking energy: -400.975
Base-Backbone interact. energy: -1.966
local terms energy: -420.045844
where:
bonds (distance) C4'-P energy: -86.449
bonds (distance) P-C4' energy: -74.395
flat angles C4'-P-C4' energy: -96.177
flat angles P-C4'-P energy: -60.175
tors. eta vs tors. theta energy: -102.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1152.828651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.828651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.828651 (E_RNA)
where:
Base-Base interactions energy: -753.513
where: short stacking energy: -346.606
Base-Backbone interact. energy: -1.425
local terms energy: -397.890370
where:
bonds (distance) C4'-P energy: -76.271
bonds (distance) P-C4' energy: -89.924
flat angles C4'-P-C4' energy: -96.395
flat angles P-C4'-P energy: -51.433
tors. eta vs tors. theta energy: -83.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -782.536299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.536299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.536299 (E_RNA)
where:
Base-Base interactions energy: -473.691
where: short stacking energy: -254.020
Base-Backbone interact. energy: 1.524
local terms energy: -310.369937
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -88.671
flat angles C4'-P-C4' energy: -89.279
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -33.816
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: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -762.227389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.227389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.227389 (E_RNA)
where:
Base-Base interactions energy: -436.166
where: short stacking energy: -222.693
Base-Backbone interact. energy: -1.956
local terms energy: -324.105474
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -77.264
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -34.774
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: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -575.227609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.227609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.227609 (E_RNA)
where:
Base-Base interactions energy: -317.091
where: short stacking energy: -189.140
Base-Backbone interact. energy: -0.834
local terms energy: -257.301812
where:
bonds (distance) C4'-P energy: -78.885
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -20.745
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: 183
Temperature: 0.900000
Total energy: -1696.513292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.513292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.513292 (E_RNA)
where:
Base-Base interactions energy: -1181.671
where: short stacking energy: -503.762
Base-Backbone interact. energy: -1.053
local terms energy: -513.789658
where:
bonds (distance) C4'-P energy: -92.988
bonds (distance) P-C4' energy: -105.783
flat angles C4'-P-C4' energy: -100.259
flat angles P-C4'-P energy: -76.836
tors. eta vs tors. theta energy: -137.925
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: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1736.642913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.642913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.642913 (E_RNA)
where:
Base-Base interactions energy: -1187.442
where: short stacking energy: -529.869
Base-Backbone interact. energy: -2.364
local terms energy: -546.836774
where:
bonds (distance) C4'-P energy: -102.434
bonds (distance) P-C4' energy: -96.658
flat angles C4'-P-C4' energy: -109.184
flat angles P-C4'-P energy: -74.152
tors. eta vs tors. theta energy: -164.409
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: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1605.861394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.861394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.861394 (E_RNA)
where:
Base-Base interactions energy: -1125.960
where: short stacking energy: -458.171
Base-Backbone interact. energy: -2.757
local terms energy: -477.145077
where:
bonds (distance) C4'-P energy: -95.931
bonds (distance) P-C4' energy: -89.711
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -49.582
tors. eta vs tors. theta energy: -139.060
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1475.667451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.667451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.667451 (E_RNA)
where:
Base-Base interactions energy: -1011.967
where: short stacking energy: -431.946
Base-Backbone interact. energy: -1.484
local terms energy: -462.215965
where:
bonds (distance) C4'-P energy: -89.333
bonds (distance) P-C4' energy: -75.626
flat angles C4'-P-C4' energy: -100.518
flat angles P-C4'-P energy: -73.381
tors. eta vs tors. theta energy: -123.358
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: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1413.490886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.490886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.490886 (E_RNA)
where:
Base-Base interactions energy: -976.271
where: short stacking energy: -396.843
Base-Backbone interact. energy: 1.199
local terms energy: -438.418921
where:
bonds (distance) C4'-P energy: -81.038
bonds (distance) P-C4' energy: -79.482
flat angles C4'-P-C4' energy: -105.720
flat angles P-C4'-P energy: -63.550
tors. eta vs tors. theta energy: -108.630
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: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1349.917766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.917766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.917766 (E_RNA)
where:
Base-Base interactions energy: -929.093
where: short stacking energy: -378.898
Base-Backbone interact. energy: -0.397
local terms energy: -420.427656
where:
bonds (distance) C4'-P energy: -72.345
bonds (distance) P-C4' energy: -96.865
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -65.034
tors. eta vs tors. theta energy: -105.314
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: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1131.993402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.993402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.993402 (E_RNA)
where:
Base-Base interactions energy: -753.252
where: short stacking energy: -333.375
Base-Backbone interact. energy: 1.107
local terms energy: -379.849192
where:
bonds (distance) C4'-P energy: -92.562
bonds (distance) P-C4' energy: -79.483
flat angles C4'-P-C4' energy: -84.342
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -759.335661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.335661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.335661 (E_RNA)
where:
Base-Base interactions energy: -479.102
where: short stacking energy: -219.709
Base-Backbone interact. energy: -1.592
local terms energy: -278.641391
where:
bonds (distance) C4'-P energy: -70.034
bonds (distance) P-C4' energy: -78.209
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -30.620
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -749.334636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.334636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.334636 (E_RNA)
where:
Base-Base interactions energy: -419.364
where: short stacking energy: -213.032
Base-Backbone interact. energy: 0.642
local terms energy: -330.613316
where:
bonds (distance) C4'-P energy: -76.627
bonds (distance) P-C4' energy: -90.071
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -52.057
tors. eta vs tors. theta energy: -32.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -608.915360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.915360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.915360 (E_RNA)
where:
Base-Base interactions energy: -315.851
where: short stacking energy: -189.175
Base-Backbone interact. energy: -1.642
local terms energy: -291.421881
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -86.422
flat angles C4'-P-C4' energy: -71.441
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1766.012897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.012897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.012897 (E_RNA)
where:
Base-Base interactions energy: -1208.926
where: short stacking energy: -552.944
Base-Backbone interact. energy: -1.201
local terms energy: -555.885567
where:
bonds (distance) C4'-P energy: -99.215
bonds (distance) P-C4' energy: -99.616
flat angles C4'-P-C4' energy: -118.981
flat angles P-C4'-P energy: -74.174
tors. eta vs tors. theta energy: -163.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1658.157729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.157729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.157729 (E_RNA)
where:
Base-Base interactions energy: -1140.063
where: short stacking energy: -473.212
Base-Backbone interact. energy: -2.196
local terms energy: -515.898073
where:
bonds (distance) C4'-P energy: -92.252
bonds (distance) P-C4' energy: -102.071
flat angles C4'-P-C4' energy: -121.066
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -135.382
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1603.959142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.959142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.959142 (E_RNA)
where:
Base-Base interactions energy: -1118.269
where: short stacking energy: -453.414
Base-Backbone interact. energy: -1.346
local terms energy: -484.344086
where:
bonds (distance) C4'-P energy: -88.723
bonds (distance) P-C4' energy: -95.247
flat angles C4'-P-C4' energy: -99.191
flat angles P-C4'-P energy: -74.144
tors. eta vs tors. theta energy: -127.039
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: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1469.354076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.354076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.354076 (E_RNA)
where:
Base-Base interactions energy: -1012.711
where: short stacking energy: -435.986
Base-Backbone interact. energy: -0.935
local terms energy: -455.707184
where:
bonds (distance) C4'-P energy: -93.624
bonds (distance) P-C4' energy: -77.857
flat angles C4'-P-C4' energy: -116.510
flat angles P-C4'-P energy: -54.708
tors. eta vs tors. theta energy: -113.008
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: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1416.546026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.546026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.546026 (E_RNA)
where:
Base-Base interactions energy: -979.604
where: short stacking energy: -388.837
Base-Backbone interact. energy: -2.253
local terms energy: -434.688416
where:
bonds (distance) C4'-P energy: -91.553
bonds (distance) P-C4' energy: -96.196
flat angles C4'-P-C4' energy: -90.434
flat angles P-C4'-P energy: -56.155
tors. eta vs tors. theta energy: -100.350
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: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1350.581778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.581778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.581778 (E_RNA)
where:
Base-Base interactions energy: -939.180
where: short stacking energy: -397.720
Base-Backbone interact. energy: -0.321
local terms energy: -411.081494
where:
bonds (distance) C4'-P energy: -82.694
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -64.833
tors. eta vs tors. theta energy: -89.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1167.372186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.372186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.372186 (E_RNA)
where:
Base-Base interactions energy: -767.777
where: short stacking energy: -347.075
Base-Backbone interact. energy: 1.257
local terms energy: -400.852301
where:
bonds (distance) C4'-P energy: -78.035
bonds (distance) P-C4' energy: -78.938
flat angles C4'-P-C4' energy: -85.453
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -92.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -721.772892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.772892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.772892 (E_RNA)
where:
Base-Base interactions energy: -424.242
where: short stacking energy: -241.923
Base-Backbone interact. energy: 1.129
local terms energy: -298.659287
where:
bonds (distance) C4'-P energy: -68.295
bonds (distance) P-C4' energy: -85.479
flat angles C4'-P-C4' energy: -81.125
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -16.941
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: 184
Temperature: 1.300000
Total energy: -841.295733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.295733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.295733 (E_RNA)
where:
Base-Base interactions energy: -538.212
where: short stacking energy: -252.961
Base-Backbone interact. energy: 2.489
local terms energy: -305.573370
where:
bonds (distance) C4'-P energy: -65.300
bonds (distance) P-C4' energy: -78.806
flat angles C4'-P-C4' energy: -69.387
flat angles P-C4'-P energy: -52.808
tors. eta vs tors. theta energy: -39.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -589.803816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.803816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.803816 (E_RNA)
where:
Base-Base interactions energy: -307.655
where: short stacking energy: -161.930
Base-Backbone interact. energy: -0.489
local terms energy: -281.659402
where:
bonds (distance) C4'-P energy: -73.480
bonds (distance) P-C4' energy: -86.167
flat angles C4'-P-C4' energy: -73.092
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1758.304672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.304672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.304672 (E_RNA)
where:
Base-Base interactions energy: -1211.288
where: short stacking energy: -550.619
Base-Backbone interact. energy: 0.919
local terms energy: -547.935845
where:
bonds (distance) C4'-P energy: -95.670
bonds (distance) P-C4' energy: -101.020
flat angles C4'-P-C4' energy: -113.048
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -171.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1658.078970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.078970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.078970 (E_RNA)
where:
Base-Base interactions energy: -1139.064
where: short stacking energy: -476.863
Base-Backbone interact. energy: -1.902
local terms energy: -517.112639
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -98.177
flat angles C4'-P-C4' energy: -112.581
flat angles P-C4'-P energy: -80.655
tors. eta vs tors. theta energy: -133.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1603.240873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.240873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.240873 (E_RNA)
where:
Base-Base interactions energy: -1089.642
where: short stacking energy: -458.045
Base-Backbone interact. energy: -1.645
local terms energy: -511.954661
where:
bonds (distance) C4'-P energy: -95.848
bonds (distance) P-C4' energy: -92.521
flat angles C4'-P-C4' energy: -109.767
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -136.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1488.342216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.342216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.342216 (E_RNA)
where:
Base-Base interactions energy: -1025.366
where: short stacking energy: -409.251
Base-Backbone interact. energy: -0.452
local terms energy: -462.523634
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -93.701
flat angles C4'-P-C4' energy: -88.111
flat angles P-C4'-P energy: -59.317
tors. eta vs tors. theta energy: -118.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1400.126153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.126153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.126153 (E_RNA)
where:
Base-Base interactions energy: -945.419
where: short stacking energy: -386.723
Base-Backbone interact. energy: -2.127
local terms energy: -452.579989
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -96.935
flat angles C4'-P-C4' energy: -104.623
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -98.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1408.927107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.927107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.927107 (E_RNA)
where:
Base-Base interactions energy: -976.594
where: short stacking energy: -402.586
Base-Backbone interact. energy: -0.498
local terms energy: -431.834619
where:
bonds (distance) C4'-P energy: -75.440
bonds (distance) P-C4' energy: -78.957
flat angles C4'-P-C4' energy: -106.470
flat angles P-C4'-P energy: -55.454
tors. eta vs tors. theta energy: -115.514
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: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1136.694582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.694582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.694582 (E_RNA)
where:
Base-Base interactions energy: -742.627
where: short stacking energy: -315.824
Base-Backbone interact. energy: 2.546
local terms energy: -396.613766
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -82.710
flat angles P-C4'-P energy: -56.826
tors. eta vs tors. theta energy: -68.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -799.246998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.246998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.246998 (E_RNA)
where:
Base-Base interactions energy: -458.443
where: short stacking energy: -231.590
Base-Backbone interact. energy: -2.043
local terms energy: -338.760831
where:
bonds (distance) C4'-P energy: -85.732
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -84.062
flat angles P-C4'-P energy: -45.485
tors. eta vs tors. theta energy: -39.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -682.700617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.700617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.700617 (E_RNA)
where:
Base-Base interactions energy: -391.694
where: short stacking energy: -215.582
Base-Backbone interact. energy: 0.335
local terms energy: -291.341193
where:
bonds (distance) C4'-P energy: -71.529
bonds (distance) P-C4' energy: -80.275
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -26.765
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: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -570.008395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.008395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.008395 (E_RNA)
where:
Base-Base interactions energy: -308.822
where: short stacking energy: -174.810
Base-Backbone interact. energy: 3.508
local terms energy: -264.693634
where:
bonds (distance) C4'-P energy: -86.965
bonds (distance) P-C4' energy: -79.153
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -6.553
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: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1744.528413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.528413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.528413 (E_RNA)
where:
Base-Base interactions energy: -1203.854
where: short stacking energy: -545.822
Base-Backbone interact. energy: -2.403
local terms energy: -538.271828
where:
bonds (distance) C4'-P energy: -105.628
bonds (distance) P-C4' energy: -91.621
flat angles C4'-P-C4' energy: -110.764
flat angles P-C4'-P energy: -70.814
tors. eta vs tors. theta energy: -159.445
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: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1670.156845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.156845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.156845 (E_RNA)
where:
Base-Base interactions energy: -1159.965
where: short stacking energy: -472.196
Base-Backbone interact. energy: -1.215
local terms energy: -508.976704
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -103.336
flat angles C4'-P-C4' energy: -104.596
flat angles P-C4'-P energy: -76.639
tors. eta vs tors. theta energy: -126.959
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: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1602.028192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.028192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.028192 (E_RNA)
where:
Base-Base interactions energy: -1092.370
where: short stacking energy: -464.471
Base-Backbone interact. energy: -3.590
local terms energy: -506.068444
where:
bonds (distance) C4'-P energy: -90.310
bonds (distance) P-C4' energy: -99.937
flat angles C4'-P-C4' energy: -105.351
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: -145.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1508.110690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.110690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.110690 (E_RNA)
where:
Base-Base interactions energy: -1058.083
where: short stacking energy: -439.684
Base-Backbone interact. energy: 1.579
local terms energy: -451.606159
where:
bonds (distance) C4'-P energy: -83.903
bonds (distance) P-C4' energy: -94.568
flat angles C4'-P-C4' energy: -105.716
flat angles P-C4'-P energy: -54.216
tors. eta vs tors. theta energy: -113.203
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: 186
Temperature: 1.100000
Total energy: -1436.884467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.884467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.884467 (E_RNA)
where:
Base-Base interactions energy: -968.929
where: short stacking energy: -435.887
Base-Backbone interact. energy: -0.413
local terms energy: -467.541930
where:
bonds (distance) C4'-P energy: -75.193
bonds (distance) P-C4' energy: -82.541
flat angles C4'-P-C4' energy: -108.644
flat angles P-C4'-P energy: -75.559
tors. eta vs tors. theta energy: -125.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1342.039165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.039165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.039165 (E_RNA)
where:
Base-Base interactions energy: -914.941
where: short stacking energy: -372.498
Base-Backbone interact. energy: -3.832
local terms energy: -423.266156
where:
bonds (distance) C4'-P energy: -78.534
bonds (distance) P-C4' energy: -92.254
flat angles C4'-P-C4' energy: -91.077
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -101.712
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: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1173.664656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.664656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.664656 (E_RNA)
where:
Base-Base interactions energy: -807.659
where: short stacking energy: -320.175
Base-Backbone interact. energy: 0.002
local terms energy: -366.007919
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -96.372
flat angles C4'-P-C4' energy: -84.153
flat angles P-C4'-P energy: -54.413
tors. eta vs tors. theta energy: -72.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -810.467755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.467755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.467755 (E_RNA)
where:
Base-Base interactions energy: -481.756
where: short stacking energy: -251.511
Base-Backbone interact. energy: -0.246
local terms energy: -328.465837
where:
bonds (distance) C4'-P energy: -83.107
bonds (distance) P-C4' energy: -84.144
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -29.536
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -650.156710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.156710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.156710 (E_RNA)
where:
Base-Base interactions energy: -355.731
where: short stacking energy: -220.473
Base-Backbone interact. energy: -1.391
local terms energy: -293.034428
where:
bonds (distance) C4'-P energy: -79.526
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -66.864
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -548.547118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.547118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.547118 (E_RNA)
where:
Base-Base interactions energy: -276.425
where: short stacking energy: -163.312
Base-Backbone interact. energy: 2.845
local terms energy: -274.967060
where:
bonds (distance) C4'-P energy: -70.279
bonds (distance) P-C4' energy: -74.739
flat angles C4'-P-C4' energy: -70.888
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -14.073
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: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1736.057626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.057626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.057626 (E_RNA)
where:
Base-Base interactions energy: -1187.347
where: short stacking energy: -534.726
Base-Backbone interact. energy: -2.370
local terms energy: -546.339862
where:
bonds (distance) C4'-P energy: -89.760
bonds (distance) P-C4' energy: -106.326
flat angles C4'-P-C4' energy: -114.918
flat angles P-C4'-P energy: -72.131
tors. eta vs tors. theta energy: -163.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1657.081773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.081773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.081773 (E_RNA)
where:
Base-Base interactions energy: -1154.233
where: short stacking energy: -493.875
Base-Backbone interact. energy: -2.981
local terms energy: -499.868128
where:
bonds (distance) C4'-P energy: -90.699
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -99.791
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -128.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1609.688304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.688304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.688304 (E_RNA)
where:
Base-Base interactions energy: -1120.800
where: short stacking energy: -483.018
Base-Backbone interact. energy: -1.798
local terms energy: -487.090023
where:
bonds (distance) C4'-P energy: -91.641
bonds (distance) P-C4' energy: -93.197
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -136.997
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: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1517.696358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.696358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.696358 (E_RNA)
where:
Base-Base interactions energy: -1051.397
where: short stacking energy: -456.898
Base-Backbone interact. energy: -3.709
local terms energy: -462.590340
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -91.659
flat angles C4'-P-C4' energy: -92.542
flat angles P-C4'-P energy: -63.410
tors. eta vs tors. theta energy: -124.347
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1434.071368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.071368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.071368 (E_RNA)
where:
Base-Base interactions energy: -974.498
where: short stacking energy: -420.723
Base-Backbone interact. energy: -0.267
local terms energy: -459.306232
where:
bonds (distance) C4'-P energy: -87.352
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -99.943
flat angles P-C4'-P energy: -58.683
tors. eta vs tors. theta energy: -117.552
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: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1358.428109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.428109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.428109 (E_RNA)
where:
Base-Base interactions energy: -929.875
where: short stacking energy: -412.072
Base-Backbone interact. energy: 0.173
local terms energy: -428.725875
where:
bonds (distance) C4'-P energy: -70.710
bonds (distance) P-C4' energy: -93.836
flat angles C4'-P-C4' energy: -92.480
flat angles P-C4'-P energy: -68.155
tors. eta vs tors. theta energy: -103.546
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1156.723790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.723790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.723790 (E_RNA)
where:
Base-Base interactions energy: -778.076
where: short stacking energy: -357.922
Base-Backbone interact. energy: 0.478
local terms energy: -379.126129
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -89.398
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: -88.067
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: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -758.614952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.614952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.614952 (E_RNA)
where:
Base-Base interactions energy: -443.515
where: short stacking energy: -235.889
Base-Backbone interact. energy: -1.539
local terms energy: -313.560900
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -78.492
flat angles C4'-P-C4' energy: -87.309
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -19.214
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: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -615.948262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.948262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.948262 (E_RNA)
where:
Base-Base interactions energy: -326.992
where: short stacking energy: -179.259
Base-Backbone interact. energy: 2.546
local terms energy: -291.501910
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -13.846
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: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -532.171488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.171488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.171488 (E_RNA)
where:
Base-Base interactions energy: -263.651
where: short stacking energy: -139.685
Base-Backbone interact. energy: -0.698
local terms energy: -267.821725
where:
bonds (distance) C4'-P energy: -77.036
bonds (distance) P-C4' energy: -81.028
flat angles C4'-P-C4' energy: -60.087
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1763.060762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.060762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.060762 (E_RNA)
where:
Base-Base interactions energy: -1207.560
where: short stacking energy: -531.298
Base-Backbone interact. energy: -0.915
local terms energy: -554.585560
where:
bonds (distance) C4'-P energy: -95.216
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -115.437
flat angles P-C4'-P energy: -73.408
tors. eta vs tors. theta energy: -168.715
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1673.743932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.743932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.743932 (E_RNA)
where:
Base-Base interactions energy: -1169.471
where: short stacking energy: -482.894
Base-Backbone interact. energy: -0.248
local terms energy: -504.024882
where:
bonds (distance) C4'-P energy: -94.415
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -108.682
flat angles P-C4'-P energy: -76.005
tors. eta vs tors. theta energy: -132.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1590.453181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.453181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.453181 (E_RNA)
where:
Base-Base interactions energy: -1090.341
where: short stacking energy: -474.359
Base-Backbone interact. energy: 0.969
local terms energy: -501.081628
where:
bonds (distance) C4'-P energy: -101.298
bonds (distance) P-C4' energy: -93.830
flat angles C4'-P-C4' energy: -104.765
flat angles P-C4'-P energy: -63.612
tors. eta vs tors. theta energy: -137.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1482.083010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.083010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.083010 (E_RNA)
where:
Base-Base interactions energy: -1028.086
where: short stacking energy: -425.014
Base-Backbone interact. energy: -2.456
local terms energy: -451.540389
where:
bonds (distance) C4'-P energy: -86.769
bonds (distance) P-C4' energy: -82.072
flat angles C4'-P-C4' energy: -105.777
flat angles P-C4'-P energy: -62.628
tors. eta vs tors. theta energy: -114.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1413.131543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.131543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.131543 (E_RNA)
where:
Base-Base interactions energy: -954.764
where: short stacking energy: -420.720
Base-Backbone interact. energy: -1.160
local terms energy: -457.207008
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -94.591
flat angles C4'-P-C4' energy: -107.849
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -112.779
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: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1354.967228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.967228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.967228 (E_RNA)
where:
Base-Base interactions energy: -922.689
where: short stacking energy: -389.364
Base-Backbone interact. energy: 0.170
local terms energy: -432.448728
where:
bonds (distance) C4'-P energy: -78.700
bonds (distance) P-C4' energy: -86.109
flat angles C4'-P-C4' energy: -107.143
flat angles P-C4'-P energy: -61.453
tors. eta vs tors. theta energy: -99.044
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1180.344233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.344233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.344233 (E_RNA)
where:
Base-Base interactions energy: -797.587
where: short stacking energy: -347.905
Base-Backbone interact. energy: -1.207
local terms energy: -381.549718
where:
bonds (distance) C4'-P energy: -85.373
bonds (distance) P-C4' energy: -77.659
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -50.018
tors. eta vs tors. theta energy: -89.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -755.251588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.251588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.251588 (E_RNA)
where:
Base-Base interactions energy: -418.794
where: short stacking energy: -221.765
Base-Backbone interact. energy: -1.440
local terms energy: -335.017577
where:
bonds (distance) C4'-P energy: -69.396
bonds (distance) P-C4' energy: -83.904
flat angles C4'-P-C4' energy: -95.412
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -43.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -687.745020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.745020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.745020 (E_RNA)
where:
Base-Base interactions energy: -382.485
where: short stacking energy: -200.474
Base-Backbone interact. energy: -0.435
local terms energy: -304.825020
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -78.374
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -26.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -505.015871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.015871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.015871 (E_RNA)
where:
Base-Base interactions energy: -239.373
where: short stacking energy: -139.903
Base-Backbone interact. energy: 1.753
local terms energy: -267.395631
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -85.547
flat angles C4'-P-C4' energy: -68.684
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -1.102
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: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1769.862997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.862997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.862997 (E_RNA)
where:
Base-Base interactions energy: -1208.233
where: short stacking energy: -549.704
Base-Backbone interact. energy: 0.578
local terms energy: -562.208299
where:
bonds (distance) C4'-P energy: -100.684
bonds (distance) P-C4' energy: -101.037
flat angles C4'-P-C4' energy: -112.452
flat angles P-C4'-P energy: -80.047
tors. eta vs tors. theta energy: -167.988
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: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1663.109008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.109008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.109008 (E_RNA)
where:
Base-Base interactions energy: -1173.477
where: short stacking energy: -490.192
Base-Backbone interact. energy: 1.563
local terms energy: -491.195794
where:
bonds (distance) C4'-P energy: -81.663
bonds (distance) P-C4' energy: -99.879
flat angles C4'-P-C4' energy: -110.567
flat angles P-C4'-P energy: -70.865
tors. eta vs tors. theta energy: -128.222
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1612.384780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.384780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.384780 (E_RNA)
where:
Base-Base interactions energy: -1120.961
where: short stacking energy: -471.293
Base-Backbone interact. energy: -2.759
local terms energy: -488.665033
where:
bonds (distance) C4'-P energy: -102.829
bonds (distance) P-C4' energy: -92.179
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -68.710
tors. eta vs tors. theta energy: -124.643
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: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1500.142551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.142551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.142551 (E_RNA)
where:
Base-Base interactions energy: -1031.381
where: short stacking energy: -428.750
Base-Backbone interact. energy: -1.940
local terms energy: -466.822472
where:
bonds (distance) C4'-P energy: -86.481
bonds (distance) P-C4' energy: -94.503
flat angles C4'-P-C4' energy: -107.094
flat angles P-C4'-P energy: -63.123
tors. eta vs tors. theta energy: -115.622
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1440.494770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.494770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.494770 (E_RNA)
where:
Base-Base interactions energy: -955.271
where: short stacking energy: -418.371
Base-Backbone interact. energy: -1.959
local terms energy: -483.264170
where:
bonds (distance) C4'-P energy: -102.014
bonds (distance) P-C4' energy: -93.117
flat angles C4'-P-C4' energy: -102.934
flat angles P-C4'-P energy: -73.754
tors. eta vs tors. theta energy: -111.445
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1371.791812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.791812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.791812 (E_RNA)
where:
Base-Base interactions energy: -939.454
where: short stacking energy: -380.607
Base-Backbone interact. energy: 1.295
local terms energy: -433.632797
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -91.901
flat angles C4'-P-C4' energy: -88.628
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -114.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1212.538050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.538050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.538050 (E_RNA)
where:
Base-Base interactions energy: -807.309
where: short stacking energy: -357.327
Base-Backbone interact. energy: -1.005
local terms energy: -404.224154
where:
bonds (distance) C4'-P energy: -68.246
bonds (distance) P-C4' energy: -89.587
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -93.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -740.539182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.539182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.539182 (E_RNA)
where:
Base-Base interactions energy: -417.470
where: short stacking energy: -221.085
Base-Backbone interact. energy: -2.483
local terms energy: -320.586575
where:
bonds (distance) C4'-P energy: -82.664
bonds (distance) P-C4' energy: -84.099
flat angles C4'-P-C4' energy: -70.575
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -30.943
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: 189
Temperature: 1.300000
Total energy: -628.599958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.599958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.599958 (E_RNA)
where:
Base-Base interactions energy: -328.337
where: short stacking energy: -198.097
Base-Backbone interact. energy: 0.849
local terms energy: -301.111923
where:
bonds (distance) C4'-P energy: -71.450
bonds (distance) P-C4' energy: -85.323
flat angles C4'-P-C4' energy: -78.471
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -24.213
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: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -514.131422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.131422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.131422 (E_RNA)
where:
Base-Base interactions energy: -274.952
where: short stacking energy: -162.468
Base-Backbone interact. energy: 6.465
local terms energy: -245.644309
where:
bonds (distance) C4'-P energy: -78.296
bonds (distance) P-C4' energy: -65.216
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: 3.138
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1774.674832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.674832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.674832 (E_RNA)
where:
Base-Base interactions energy: -1217.404
where: short stacking energy: -507.337
Base-Backbone interact. energy: -2.065
local terms energy: -555.205917
where:
bonds (distance) C4'-P energy: -108.814
bonds (distance) P-C4' energy: -97.211
flat angles C4'-P-C4' energy: -105.091
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: -163.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1681.465099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.465099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.465099 (E_RNA)
where:
Base-Base interactions energy: -1155.448
where: short stacking energy: -493.769
Base-Backbone interact. energy: -2.963
local terms energy: -523.054638
where:
bonds (distance) C4'-P energy: -103.429
bonds (distance) P-C4' energy: -86.844
flat angles C4'-P-C4' energy: -119.581
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -137.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1616.120977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.120977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.120977 (E_RNA)
where:
Base-Base interactions energy: -1132.093
where: short stacking energy: -483.490
Base-Backbone interact. energy: -4.376
local terms energy: -479.652279
where:
bonds (distance) C4'-P energy: -84.833
bonds (distance) P-C4' energy: -95.382
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -63.054
tors. eta vs tors. theta energy: -132.884
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: 190
Temperature: 1.050000
Total energy: -1487.690545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.690545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.690545 (E_RNA)
where:
Base-Base interactions energy: -1034.613
where: short stacking energy: -412.471
Base-Backbone interact. energy: -1.264
local terms energy: -451.813708
where:
bonds (distance) C4'-P energy: -90.422
bonds (distance) P-C4' energy: -78.750
flat angles C4'-P-C4' energy: -103.429
flat angles P-C4'-P energy: -72.917
tors. eta vs tors. theta energy: -106.296
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: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1402.473446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.473446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.473446 (E_RNA)
where:
Base-Base interactions energy: -922.681
where: short stacking energy: -409.429
Base-Backbone interact. energy: -1.004
local terms energy: -478.788185
where:
bonds (distance) C4'-P energy: -104.614
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -103.534
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -109.654
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1400.546005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.546005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.546005 (E_RNA)
where:
Base-Base interactions energy: -957.976
where: short stacking energy: -388.137
Base-Backbone interact. energy: -2.198
local terms energy: -440.372380
where:
bonds (distance) C4'-P energy: -89.251
bonds (distance) P-C4' energy: -86.484
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -67.026
tors. eta vs tors. theta energy: -105.022
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: 190
Temperature: 1.200000
Total energy: -1194.205228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.205228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.205228 (E_RNA)
where:
Base-Base interactions energy: -799.009
where: short stacking energy: -338.445
Base-Backbone interact. energy: -1.320
local terms energy: -393.875922
where:
bonds (distance) C4'-P energy: -69.843
bonds (distance) P-C4' energy: -94.581
flat angles C4'-P-C4' energy: -85.429
flat angles P-C4'-P energy: -60.348
tors. eta vs tors. theta energy: -83.675
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: 190
Temperature: 1.250000
Total energy: -801.821170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.821170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.821170 (E_RNA)
where:
Base-Base interactions energy: -471.225
where: short stacking energy: -227.575
Base-Backbone interact. energy: 0.214
local terms energy: -330.810351
where:
bonds (distance) C4'-P energy: -72.154
bonds (distance) P-C4' energy: -90.053
flat angles C4'-P-C4' energy: -94.347
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -35.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -624.868445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.868445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.868445 (E_RNA)
where:
Base-Base interactions energy: -322.687
where: short stacking energy: -201.011
Base-Backbone interact. energy: -1.181
local terms energy: -301.000216
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -67.516
flat angles C4'-P-C4' energy: -80.303
flat angles P-C4'-P energy: -51.450
tors. eta vs tors. theta energy: -25.385
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: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -486.623459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.623459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.623459 (E_RNA)
where:
Base-Base interactions energy: -218.815
where: short stacking energy: -143.015
Base-Backbone interact. energy: -4.100
local terms energy: -263.707751
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -54.849
tors. eta vs tors. theta energy: 7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1769.936128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.936128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.936128 (E_RNA)
where:
Base-Base interactions energy: -1222.215
where: short stacking energy: -532.287
Base-Backbone interact. energy: -1.460
local terms energy: -546.261769
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -94.860
flat angles C4'-P-C4' energy: -116.742
flat angles P-C4'-P energy: -77.106
tors. eta vs tors. theta energy: -163.214
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1676.322359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.322359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.322359 (E_RNA)
where:
Base-Base interactions energy: -1193.291
where: short stacking energy: -490.770
Base-Backbone interact. energy: -0.880
local terms energy: -482.151935
where:
bonds (distance) C4'-P energy: -92.385
bonds (distance) P-C4' energy: -91.199
flat angles C4'-P-C4' energy: -113.596
flat angles P-C4'-P energy: -57.154
tors. eta vs tors. theta energy: -127.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1598.385832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.385832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.385832 (E_RNA)
where:
Base-Base interactions energy: -1107.527
where: short stacking energy: -480.172
Base-Backbone interact. energy: -1.914
local terms energy: -488.945112
where:
bonds (distance) C4'-P energy: -86.729
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -106.870
flat angles P-C4'-P energy: -77.546
tors. eta vs tors. theta energy: -126.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1499.458127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.458127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.458127 (E_RNA)
where:
Base-Base interactions energy: -1031.227
where: short stacking energy: -435.456
Base-Backbone interact. energy: 1.696
local terms energy: -469.927916
where:
bonds (distance) C4'-P energy: -94.290
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -109.833
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -106.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1401.032146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.032146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.032146 (E_RNA)
where:
Base-Base interactions energy: -953.803
where: short stacking energy: -452.436
Base-Backbone interact. energy: -0.550
local terms energy: -446.679571
where:
bonds (distance) C4'-P energy: -84.425
bonds (distance) P-C4' energy: -92.641
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -114.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1355.360194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.360194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.360194 (E_RNA)
where:
Base-Base interactions energy: -961.530
where: short stacking energy: -390.062
Base-Backbone interact. energy: -1.923
local terms energy: -391.907136
where:
bonds (distance) C4'-P energy: -70.345
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -79.105
flat angles P-C4'-P energy: -60.504
tors. eta vs tors. theta energy: -104.233
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1158.436545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.436545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.436545 (E_RNA)
where:
Base-Base interactions energy: -760.642
where: short stacking energy: -328.622
Base-Backbone interact. energy: -4.463
local terms energy: -393.332210
where:
bonds (distance) C4'-P energy: -92.016
bonds (distance) P-C4' energy: -85.251
flat angles C4'-P-C4' energy: -87.377
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: -70.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -831.498094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.498094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.498094 (E_RNA)
where:
Base-Base interactions energy: -495.898
where: short stacking energy: -249.035
Base-Backbone interact. energy: 2.172
local terms energy: -337.771874
where:
bonds (distance) C4'-P energy: -81.604
bonds (distance) P-C4' energy: -90.983
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -40.298
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -635.102255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.102255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.102255 (E_RNA)
where:
Base-Base interactions energy: -341.666
where: short stacking energy: -176.917
Base-Backbone interact. energy: -2.075
local terms energy: -291.361815
where:
bonds (distance) C4'-P energy: -78.927
bonds (distance) P-C4' energy: -78.806
flat angles C4'-P-C4' energy: -78.510
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -13.426
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: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -504.508099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.508099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.508099 (E_RNA)
where:
Base-Base interactions energy: -254.955
where: short stacking energy: -137.102
Base-Backbone interact. energy: -0.234
local terms energy: -249.318680
where:
bonds (distance) C4'-P energy: -84.683
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -63.325
flat angles P-C4'-P energy: -31.463
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1771.421154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.421154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.421154 (E_RNA)
where:
Base-Base interactions energy: -1214.434
where: short stacking energy: -525.569
Base-Backbone interact. energy: -1.627
local terms energy: -555.360369
where:
bonds (distance) C4'-P energy: -102.470
bonds (distance) P-C4' energy: -97.758
flat angles C4'-P-C4' energy: -111.699
flat angles P-C4'-P energy: -74.942
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: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1626.771060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.771060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.771060 (E_RNA)
where:
Base-Base interactions energy: -1133.016
where: short stacking energy: -472.675
Base-Backbone interact. energy: -3.134
local terms energy: -490.620752
where:
bonds (distance) C4'-P energy: -92.672
bonds (distance) P-C4' energy: -100.094
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -71.283
tors. eta vs tors. theta energy: -123.098
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: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1583.683450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.683450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.683450 (E_RNA)
where:
Base-Base interactions energy: -1075.335
where: short stacking energy: -449.143
Base-Backbone interact. energy: -2.511
local terms energy: -505.838115
where:
bonds (distance) C4'-P energy: -103.346
bonds (distance) P-C4' energy: -104.004
flat angles C4'-P-C4' energy: -105.067
flat angles P-C4'-P energy: -67.589
tors. eta vs tors. theta energy: -125.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1453.005337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.005337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.005337 (E_RNA)
where:
Base-Base interactions energy: -999.867
where: short stacking energy: -409.730
Base-Backbone interact. energy: 1.220
local terms energy: -454.358770
where:
bonds (distance) C4'-P energy: -102.294
bonds (distance) P-C4' energy: -79.856
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -64.040
tors. eta vs tors. theta energy: -106.703
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: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1423.251307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.251307 (E_RNA)
where:
Base-Base interactions energy: -971.708
where: short stacking energy: -403.552
Base-Backbone interact. energy: -3.277
local terms energy: -448.266991
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -96.881
flat angles C4'-P-C4' energy: -105.881
flat angles P-C4'-P energy: -61.819
tors. eta vs tors. theta energy: -112.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1375.935406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.935406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.935406 (E_RNA)
where:
Base-Base interactions energy: -925.586
where: short stacking energy: -392.998
Base-Backbone interact. energy: -1.660
local terms energy: -448.688873
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -82.186
flat angles C4'-P-C4' energy: -105.529
flat angles P-C4'-P energy: -74.606
tors. eta vs tors. theta energy: -102.598
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: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1202.279341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.279341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.279341 (E_RNA)
where:
Base-Base interactions energy: -812.183
where: short stacking energy: -373.593
Base-Backbone interact. energy: -1.362
local terms energy: -388.734105
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -92.148
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -94.633
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: 192
Temperature: 1.250000
Total energy: -781.554925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.554925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.554925 (E_RNA)
where:
Base-Base interactions energy: -451.483
where: short stacking energy: -224.452
Base-Backbone interact. energy: 1.206
local terms energy: -331.278329
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -90.753
flat angles C4'-P-C4' energy: -74.017
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -628.232544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.232544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.232544 (E_RNA)
where:
Base-Base interactions energy: -338.318
where: short stacking energy: -196.508
Base-Backbone interact. energy: -2.631
local terms energy: -287.283514
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -83.120
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -513.438015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.438015 (E_RNA)
where:
Base-Base interactions energy: -242.131
where: short stacking energy: -161.425
Base-Backbone interact. energy: 0.661
local terms energy: -271.968039
where:
bonds (distance) C4'-P energy: -77.087
bonds (distance) P-C4' energy: -72.392
flat angles C4'-P-C4' energy: -79.444
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: -1.334
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: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1778.680161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.680161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.680161 (E_RNA)
where:
Base-Base interactions energy: -1199.548
where: short stacking energy: -508.996
Base-Backbone interact. energy: -1.602
local terms energy: -577.529967
where:
bonds (distance) C4'-P energy: -110.906
bonds (distance) P-C4' energy: -98.455
flat angles C4'-P-C4' energy: -116.301
flat angles P-C4'-P energy: -83.815
tors. eta vs tors. theta energy: -168.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1614.998279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.998279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.998279 (E_RNA)
where:
Base-Base interactions energy: -1141.267
where: short stacking energy: -459.220
Base-Backbone interact. energy: -4.546
local terms energy: -469.185801
where:
bonds (distance) C4'-P energy: -78.782
bonds (distance) P-C4' energy: -97.275
flat angles C4'-P-C4' energy: -98.260
flat angles P-C4'-P energy: -72.946
tors. eta vs tors. theta energy: -121.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1628.361985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.361985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.361985 (E_RNA)
where:
Base-Base interactions energy: -1135.419
where: short stacking energy: -493.077
Base-Backbone interact. energy: -1.476
local terms energy: -491.466876
where:
bonds (distance) C4'-P energy: -82.915
bonds (distance) P-C4' energy: -90.868
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -79.420
tors. eta vs tors. theta energy: -128.135
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: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1513.831855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.831855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.831855 (E_RNA)
where:
Base-Base interactions energy: -1075.799
where: short stacking energy: -447.641
Base-Backbone interact. energy: 4.103
local terms energy: -442.136656
where:
bonds (distance) C4'-P energy: -91.659
bonds (distance) P-C4' energy: -80.746
flat angles C4'-P-C4' energy: -103.501
flat angles P-C4'-P energy: -58.753
tors. eta vs tors. theta energy: -107.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1438.530236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.530236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.530236 (E_RNA)
where:
Base-Base interactions energy: -978.002
where: short stacking energy: -401.460
Base-Backbone interact. energy: 0.545
local terms energy: -461.073641
where:
bonds (distance) C4'-P energy: -80.108
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -104.607
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -110.791
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: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1355.707839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.707839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.707839 (E_RNA)
where:
Base-Base interactions energy: -921.524
where: short stacking energy: -403.456
Base-Backbone interact. energy: 0.323
local terms energy: -434.506222
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -91.296
flat angles C4'-P-C4' energy: -92.295
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -101.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1154.365433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.365433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.365433 (E_RNA)
where:
Base-Base interactions energy: -750.314
where: short stacking energy: -313.296
Base-Backbone interact. energy: -0.999
local terms energy: -403.052797
where:
bonds (distance) C4'-P energy: -88.486
bonds (distance) P-C4' energy: -95.150
flat angles C4'-P-C4' energy: -91.764
flat angles P-C4'-P energy: -59.027
tors. eta vs tors. theta energy: -68.625
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: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -809.684335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.684335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.684335 (E_RNA)
where:
Base-Base interactions energy: -485.603
where: short stacking energy: -237.642
Base-Backbone interact. energy: 2.309
local terms energy: -326.389703
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -90.069
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -44.821
tors. eta vs tors. theta energy: -37.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -628.987029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.987029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.987029 (E_RNA)
where:
Base-Base interactions energy: -336.634
where: short stacking energy: -205.992
Base-Backbone interact. energy: 0.356
local terms energy: -292.709599
where:
bonds (distance) C4'-P energy: -81.163
bonds (distance) P-C4' energy: -66.708
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -17.909
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: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -522.520932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.520932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.520932 (E_RNA)
where:
Base-Base interactions energy: -266.330
where: short stacking energy: -152.625
Base-Backbone interact. energy: 0.813
local terms energy: -257.004553
where:
bonds (distance) C4'-P energy: -73.901
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -55.304
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: 2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1771.245896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.245896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.245896 (E_RNA)
where:
Base-Base interactions energy: -1213.216
where: short stacking energy: -534.486
Base-Backbone interact. energy: 0.457
local terms energy: -558.486571
where:
bonds (distance) C4'-P energy: -97.892
bonds (distance) P-C4' energy: -94.644
flat angles C4'-P-C4' energy: -117.369
flat angles P-C4'-P energy: -78.681
tors. eta vs tors. theta energy: -169.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1667.066164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.066164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.066164 (E_RNA)
where:
Base-Base interactions energy: -1158.720
where: short stacking energy: -475.250
Base-Backbone interact. energy: -3.139
local terms energy: -505.207084
where:
bonds (distance) C4'-P energy: -88.666
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -116.249
flat angles P-C4'-P energy: -76.281
tors. eta vs tors. theta energy: -131.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1564.471681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.471681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.471681 (E_RNA)
where:
Base-Base interactions energy: -1072.847
where: short stacking energy: -471.426
Base-Backbone interact. energy: -0.021
local terms energy: -491.604306
where:
bonds (distance) C4'-P energy: -87.742
bonds (distance) P-C4' energy: -88.678
flat angles C4'-P-C4' energy: -112.131
flat angles P-C4'-P energy: -75.894
tors. eta vs tors. theta energy: -127.160
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1449.700836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.700836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.700836 (E_RNA)
where:
Base-Base interactions energy: -986.936
where: short stacking energy: -417.274
Base-Backbone interact. energy: -2.349
local terms energy: -460.416004
where:
bonds (distance) C4'-P energy: -91.792
bonds (distance) P-C4' energy: -94.516
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -111.672
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: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1440.151883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.151883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.151883 (E_RNA)
where:
Base-Base interactions energy: -961.775
where: short stacking energy: -411.985
Base-Backbone interact. energy: -3.028
local terms energy: -475.348457
where:
bonds (distance) C4'-P energy: -89.941
bonds (distance) P-C4' energy: -94.780
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -120.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1390.282923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.282923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.282923 (E_RNA)
where:
Base-Base interactions energy: -964.836
where: short stacking energy: -393.317
Base-Backbone interact. energy: -1.868
local terms energy: -423.579696
where:
bonds (distance) C4'-P energy: -87.429
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -89.676
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -111.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1172.144363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.144363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.144363 (E_RNA)
where:
Base-Base interactions energy: -787.812
where: short stacking energy: -345.669
Base-Backbone interact. energy: 3.074
local terms energy: -387.406433
where:
bonds (distance) C4'-P energy: -82.524
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -51.187
tors. eta vs tors. theta energy: -71.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -791.405810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.405810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.405810 (E_RNA)
where:
Base-Base interactions energy: -455.506
where: short stacking energy: -228.082
Base-Backbone interact. energy: -1.105
local terms energy: -334.794038
where:
bonds (distance) C4'-P energy: -76.177
bonds (distance) P-C4' energy: -89.640
flat angles C4'-P-C4' energy: -87.985
flat angles P-C4'-P energy: -52.787
tors. eta vs tors. theta energy: -28.205
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: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -635.422442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.422442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.422442 (E_RNA)
where:
Base-Base interactions energy: -321.316
where: short stacking energy: -187.489
Base-Backbone interact. energy: 1.099
local terms energy: -315.206185
where:
bonds (distance) C4'-P energy: -90.901
bonds (distance) P-C4' energy: -82.758
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -60.969
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -491.591936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.591936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.591936 (E_RNA)
where:
Base-Base interactions energy: -212.974
where: short stacking energy: -137.837
Base-Backbone interact. energy: 0.547
local terms energy: -279.165124
where:
bonds (distance) C4'-P energy: -85.134
bonds (distance) P-C4' energy: -71.713
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -48.949
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1773.241530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.241530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.241530 (E_RNA)
where:
Base-Base interactions energy: -1221.515
where: short stacking energy: -527.937
Base-Backbone interact. energy: -0.646
local terms energy: -551.080460
where:
bonds (distance) C4'-P energy: -101.084
bonds (distance) P-C4' energy: -97.945
flat angles C4'-P-C4' energy: -114.918
flat angles P-C4'-P energy: -69.751
tors. eta vs tors. theta energy: -167.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1673.872684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.872684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.872684 (E_RNA)
where:
Base-Base interactions energy: -1181.548
where: short stacking energy: -467.623
Base-Backbone interact. energy: 2.568
local terms energy: -494.892655
where:
bonds (distance) C4'-P energy: -92.180
bonds (distance) P-C4' energy: -87.716
flat angles C4'-P-C4' energy: -105.037
flat angles P-C4'-P energy: -78.694
tors. eta vs tors. theta energy: -131.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1590.631544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.631544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.631544 (E_RNA)
where:
Base-Base interactions energy: -1100.060
where: short stacking energy: -462.595
Base-Backbone interact. energy: -1.499
local terms energy: -489.072069
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -96.227
flat angles C4'-P-C4' energy: -100.521
flat angles P-C4'-P energy: -77.130
tors. eta vs tors. theta energy: -121.800
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: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1488.990908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.990908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.990908 (E_RNA)
where:
Base-Base interactions energy: -1020.804
where: short stacking energy: -444.701
Base-Backbone interact. energy: -1.799
local terms energy: -466.388137
where:
bonds (distance) C4'-P energy: -91.092
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -96.903
flat angles P-C4'-P energy: -62.470
tors. eta vs tors. theta energy: -124.909
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: 195
Temperature: 1.100000
Total energy: -1393.594557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.594557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.594557 (E_RNA)
where:
Base-Base interactions energy: -967.264
where: short stacking energy: -406.604
Base-Backbone interact. energy: -2.262
local terms energy: -424.068296
where:
bonds (distance) C4'-P energy: -63.310
bonds (distance) P-C4' energy: -91.011
flat angles C4'-P-C4' energy: -102.592
flat angles P-C4'-P energy: -58.933
tors. eta vs tors. theta energy: -108.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1388.544723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.544723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.544723 (E_RNA)
where:
Base-Base interactions energy: -962.858
where: short stacking energy: -399.490
Base-Backbone interact. energy: 0.447
local terms energy: -426.133588
where:
bonds (distance) C4'-P energy: -78.042
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -78.380
flat angles P-C4'-P energy: -66.684
tors. eta vs tors. theta energy: -113.107
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1170.388573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.388573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.388573 (E_RNA)
where:
Base-Base interactions energy: -782.884
where: short stacking energy: -327.298
Base-Backbone interact. energy: -2.516
local terms energy: -384.988903
where:
bonds (distance) C4'-P energy: -78.887
bonds (distance) P-C4' energy: -78.170
flat angles C4'-P-C4' energy: -88.868
flat angles P-C4'-P energy: -65.153
tors. eta vs tors. theta energy: -73.912
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: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -897.389304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.389304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.389304 (E_RNA)
where:
Base-Base interactions energy: -562.785
where: short stacking energy: -271.123
Base-Backbone interact. energy: -1.518
local terms energy: -333.085780
where:
bonds (distance) C4'-P energy: -76.523
bonds (distance) P-C4' energy: -76.552
flat angles C4'-P-C4' energy: -73.751
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -58.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -624.288939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.288939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.288939 (E_RNA)
where:
Base-Base interactions energy: -344.590
where: short stacking energy: -186.092
Base-Backbone interact. energy: 3.530
local terms energy: -283.229239
where:
bonds (distance) C4'-P energy: -79.379
bonds (distance) P-C4' energy: -81.541
flat angles C4'-P-C4' energy: -79.162
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -9.203
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -519.611267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.611267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.611267 (E_RNA)
where:
Base-Base interactions energy: -233.313
where: short stacking energy: -164.518
Base-Backbone interact. energy: 4.525
local terms energy: -290.823436
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -82.685
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -11.750
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: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1759.957724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.957724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.957724 (E_RNA)
where:
Base-Base interactions energy: -1210.079
where: short stacking energy: -534.343
Base-Backbone interact. energy: 1.923
local terms energy: -551.802098
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -88.823
flat angles C4'-P-C4' energy: -117.307
flat angles P-C4'-P energy: -81.364
tors. eta vs tors. theta energy: -165.302
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1682.510342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.510342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.510342 (E_RNA)
where:
Base-Base interactions energy: -1187.331
where: short stacking energy: -488.494
Base-Backbone interact. energy: -2.885
local terms energy: -492.294920
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -90.451
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: -132.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1547.289432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.289432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.289432 (E_RNA)
where:
Base-Base interactions energy: -1050.937
where: short stacking energy: -489.915
Base-Backbone interact. energy: -2.496
local terms energy: -493.857086
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -106.057
flat angles P-C4'-P energy: -59.468
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: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1510.776796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.776796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.776796 (E_RNA)
where:
Base-Base interactions energy: -1051.506
where: short stacking energy: -433.921
Base-Backbone interact. energy: -1.530
local terms energy: -457.741129
where:
bonds (distance) C4'-P energy: -82.433
bonds (distance) P-C4' energy: -84.114
flat angles C4'-P-C4' energy: -105.998
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -116.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1405.745330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.745330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.745330 (E_RNA)
where:
Base-Base interactions energy: -953.344
where: short stacking energy: -415.960
Base-Backbone interact. energy: -0.090
local terms energy: -452.311058
where:
bonds (distance) C4'-P energy: -93.156
bonds (distance) P-C4' energy: -84.861
flat angles C4'-P-C4' energy: -93.314
flat angles P-C4'-P energy: -70.284
tors. eta vs tors. theta energy: -110.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1363.077673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.077673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.077673 (E_RNA)
where:
Base-Base interactions energy: -949.975
where: short stacking energy: -391.770
Base-Backbone interact. energy: 1.219
local terms energy: -414.322007
where:
bonds (distance) C4'-P energy: -87.470
bonds (distance) P-C4' energy: -72.533
flat angles C4'-P-C4' energy: -98.388
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -96.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1133.919084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.919084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.919084 (E_RNA)
where:
Base-Base interactions energy: -720.002
where: short stacking energy: -308.701
Base-Backbone interact. energy: -1.752
local terms energy: -412.164319
where:
bonds (distance) C4'-P energy: -85.600
bonds (distance) P-C4' energy: -92.962
flat angles C4'-P-C4' energy: -94.248
flat angles P-C4'-P energy: -61.841
tors. eta vs tors. theta energy: -77.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -824.265918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.265918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.265918 (E_RNA)
where:
Base-Base interactions energy: -484.963
where: short stacking energy: -237.347
Base-Backbone interact. energy: 0.808
local terms energy: -340.110786
where:
bonds (distance) C4'-P energy: -93.654
bonds (distance) P-C4' energy: -80.913
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -50.006
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -649.319585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.319585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.319585 (E_RNA)
where:
Base-Base interactions energy: -348.827
where: short stacking energy: -172.167
Base-Backbone interact. energy: -2.602
local terms energy: -297.889908
where:
bonds (distance) C4'-P energy: -63.421
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -84.919
flat angles P-C4'-P energy: -52.163
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -459.679845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.679845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.679845 (E_RNA)
where:
Base-Base interactions energy: -173.343
where: short stacking energy: -114.990
Base-Backbone interact. energy: -1.066
local terms energy: -285.270908
where:
bonds (distance) C4'-P energy: -92.057
bonds (distance) P-C4' energy: -85.987
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: 6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1781.467415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.467415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.467415 (E_RNA)
where:
Base-Base interactions energy: -1245.082
where: short stacking energy: -552.419
Base-Backbone interact. energy: 0.102
local terms energy: -536.487160
where:
bonds (distance) C4'-P energy: -91.734
bonds (distance) P-C4' energy: -97.366
flat angles C4'-P-C4' energy: -114.384
flat angles P-C4'-P energy: -68.589
tors. eta vs tors. theta energy: -164.415
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: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1663.341290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.341290 (E_RNA)
where:
Base-Base interactions energy: -1159.891
where: short stacking energy: -477.734
Base-Backbone interact. energy: -1.017
local terms energy: -502.432895
where:
bonds (distance) C4'-P energy: -91.228
bonds (distance) P-C4' energy: -109.473
flat angles C4'-P-C4' energy: -101.629
flat angles P-C4'-P energy: -70.369
tors. eta vs tors. theta energy: -129.733
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: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1571.041321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.041321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.041321 (E_RNA)
where:
Base-Base interactions energy: -1056.074
where: short stacking energy: -485.691
Base-Backbone interact. energy: -0.125
local terms energy: -514.842174
where:
bonds (distance) C4'-P energy: -97.012
bonds (distance) P-C4' energy: -94.150
flat angles C4'-P-C4' energy: -108.985
flat angles P-C4'-P energy: -73.275
tors. eta vs tors. theta energy: -141.420
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: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1543.478895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.478895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.478895 (E_RNA)
where:
Base-Base interactions energy: -1049.705
where: short stacking energy: -457.144
Base-Backbone interact. energy: -2.954
local terms energy: -490.819077
where:
bonds (distance) C4'-P energy: -95.500
bonds (distance) P-C4' energy: -93.379
flat angles C4'-P-C4' energy: -113.685
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -122.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1375.948585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.948585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.948585 (E_RNA)
where:
Base-Base interactions energy: -943.671
where: short stacking energy: -385.399
Base-Backbone interact. energy: -3.652
local terms energy: -428.625084
where:
bonds (distance) C4'-P energy: -88.702
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -89.192
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: -102.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1294.267783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.267783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.267783 (E_RNA)
where:
Base-Base interactions energy: -889.885
where: short stacking energy: -372.604
Base-Backbone interact. energy: -1.209
local terms energy: -403.174037
where:
bonds (distance) C4'-P energy: -76.111
bonds (distance) P-C4' energy: -88.855
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -65.694
tors. eta vs tors. theta energy: -90.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1148.735967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.735967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.735967 (E_RNA)
where:
Base-Base interactions energy: -794.788
where: short stacking energy: -344.770
Base-Backbone interact. energy: -1.069
local terms energy: -352.878680
where:
bonds (distance) C4'-P energy: -68.877
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -77.362
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -75.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -839.449217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.449217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.449217 (E_RNA)
where:
Base-Base interactions energy: -471.356
where: short stacking energy: -254.831
Base-Backbone interact. energy: 6.487
local terms energy: -374.580058
where:
bonds (distance) C4'-P energy: -80.858
bonds (distance) P-C4' energy: -96.129
flat angles C4'-P-C4' energy: -87.715
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: -52.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -729.705375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.705375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.705375 (E_RNA)
where:
Base-Base interactions energy: -432.562
where: short stacking energy: -222.448
Base-Backbone interact. energy: 1.364
local terms energy: -298.507642
where:
bonds (distance) C4'-P energy: -78.517
bonds (distance) P-C4' energy: -78.300
flat angles C4'-P-C4' energy: -89.097
flat angles P-C4'-P energy: -45.545
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -524.993089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.993089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.993089 (E_RNA)
where:
Base-Base interactions energy: -267.330
where: short stacking energy: -136.955
Base-Backbone interact. energy: -2.001
local terms energy: -255.662300
where:
bonds (distance) C4'-P energy: -76.319
bonds (distance) P-C4' energy: -83.839
flat angles C4'-P-C4' energy: -50.452
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1769.921240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.921240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.921240 (E_RNA)
where:
Base-Base interactions energy: -1238.767
where: short stacking energy: -552.591
Base-Backbone interact. energy: 1.991
local terms energy: -533.145323
where:
bonds (distance) C4'-P energy: -85.655
bonds (distance) P-C4' energy: -87.920
flat angles C4'-P-C4' energy: -113.694
flat angles P-C4'-P energy: -76.050
tors. eta vs tors. theta energy: -169.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1655.271991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.271991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.271991 (E_RNA)
where:
Base-Base interactions energy: -1129.471
where: short stacking energy: -480.159
Base-Backbone interact. energy: -4.537
local terms energy: -521.264005
where:
bonds (distance) C4'-P energy: -100.774
bonds (distance) P-C4' energy: -102.749
flat angles C4'-P-C4' energy: -100.871
flat angles P-C4'-P energy: -77.424
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1560.180653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.180653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.180653 (E_RNA)
where:
Base-Base interactions energy: -1038.635
where: short stacking energy: -472.363
Base-Backbone interact. energy: -1.592
local terms energy: -519.953782
where:
bonds (distance) C4'-P energy: -96.188
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -115.344
flat angles P-C4'-P energy: -74.230
tors. eta vs tors. theta energy: -137.517
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: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1498.709919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.709919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.709919 (E_RNA)
where:
Base-Base interactions energy: -1025.841
where: short stacking energy: -428.530
Base-Backbone interact. energy: -1.794
local terms energy: -471.075013
where:
bonds (distance) C4'-P energy: -88.743
bonds (distance) P-C4' energy: -98.597
flat angles C4'-P-C4' energy: -105.340
flat angles P-C4'-P energy: -58.703
tors. eta vs tors. theta energy: -119.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1395.112468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.112468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.112468 (E_RNA)
where:
Base-Base interactions energy: -985.849
where: short stacking energy: -419.402
Base-Backbone interact. energy: 2.352
local terms energy: -411.616107
where:
bonds (distance) C4'-P energy: -74.816
bonds (distance) P-C4' energy: -86.196
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -107.863
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: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1352.732965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.732965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.732965 (E_RNA)
where:
Base-Base interactions energy: -899.298
where: short stacking energy: -388.001
Base-Backbone interact. energy: -2.217
local terms energy: -451.217665
where:
bonds (distance) C4'-P energy: -92.522
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -103.090
flat angles P-C4'-P energy: -54.422
tors. eta vs tors. theta energy: -98.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1202.523223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.523223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.523223 (E_RNA)
where:
Base-Base interactions energy: -805.101
where: short stacking energy: -336.171
Base-Backbone interact. energy: -2.758
local terms energy: -394.664077
where:
bonds (distance) C4'-P energy: -65.245
bonds (distance) P-C4' energy: -94.609
flat angles C4'-P-C4' energy: -89.655
flat angles P-C4'-P energy: -54.717
tors. eta vs tors. theta energy: -90.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -786.090062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.090062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.090062 (E_RNA)
where:
Base-Base interactions energy: -476.967
where: short stacking energy: -266.752
Base-Backbone interact. energy: -1.037
local terms energy: -308.085925
where:
bonds (distance) C4'-P energy: -76.704
bonds (distance) P-C4' energy: -63.911
flat angles C4'-P-C4' energy: -73.445
flat angles P-C4'-P energy: -51.084
tors. eta vs tors. theta energy: -42.941
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: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -762.054312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.054312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.054312 (E_RNA)
where:
Base-Base interactions energy: -448.564
where: short stacking energy: -232.787
Base-Backbone interact. energy: -1.465
local terms energy: -312.024975
where:
bonds (distance) C4'-P energy: -79.283
bonds (distance) P-C4' energy: -81.761
flat angles C4'-P-C4' energy: -87.804
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -30.867
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: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -574.768015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.768015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.768015 (E_RNA)
where:
Base-Base interactions energy: -312.440
where: short stacking energy: -161.454
Base-Backbone interact. energy: -1.024
local terms energy: -261.303828
where:
bonds (distance) C4'-P energy: -69.852
bonds (distance) P-C4' energy: -81.806
flat angles C4'-P-C4' energy: -52.658
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -12.265
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: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1768.881083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.881083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.881083 (E_RNA)
where:
Base-Base interactions energy: -1206.093
where: short stacking energy: -545.350
Base-Backbone interact. energy: -1.056
local terms energy: -561.732440
where:
bonds (distance) C4'-P energy: -99.413
bonds (distance) P-C4' energy: -102.530
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -78.098
tors. eta vs tors. theta energy: -171.665
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: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1660.280457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.280457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.280457 (E_RNA)
where:
Base-Base interactions energy: -1152.815
where: short stacking energy: -481.949
Base-Backbone interact. energy: -0.492
local terms energy: -506.974014
where:
bonds (distance) C4'-P energy: -101.287
bonds (distance) P-C4' energy: -98.389
flat angles C4'-P-C4' energy: -101.345
flat angles P-C4'-P energy: -75.648
tors. eta vs tors. theta energy: -130.305
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: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1546.356950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.356950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.356950 (E_RNA)
where:
Base-Base interactions energy: -1067.447
where: short stacking energy: -462.354
Base-Backbone interact. energy: -2.423
local terms energy: -476.486743
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -106.248
flat angles P-C4'-P energy: -58.737
tors. eta vs tors. theta energy: -130.502
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: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1498.525651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.525651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.525651 (E_RNA)
where:
Base-Base interactions energy: -1042.879
where: short stacking energy: -433.051
Base-Backbone interact. energy: -0.637
local terms energy: -455.009885
where:
bonds (distance) C4'-P energy: -76.798
bonds (distance) P-C4' energy: -85.365
flat angles C4'-P-C4' energy: -100.994
flat angles P-C4'-P energy: -68.217
tors. eta vs tors. theta energy: -123.636
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: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1437.164163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.164163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.164163 (E_RNA)
where:
Base-Base interactions energy: -981.405
where: short stacking energy: -427.021
Base-Backbone interact. energy: 0.539
local terms energy: -456.298095
where:
bonds (distance) C4'-P energy: -90.143
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -111.950
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -114.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1346.893724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.893724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.893724 (E_RNA)
where:
Base-Base interactions energy: -927.790
where: short stacking energy: -395.024
Base-Backbone interact. energy: 0.280
local terms energy: -419.383588
where:
bonds (distance) C4'-P energy: -78.073
bonds (distance) P-C4' energy: -94.247
flat angles C4'-P-C4' energy: -90.700
flat angles P-C4'-P energy: -60.333
tors. eta vs tors. theta energy: -96.030
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: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1204.863511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.863511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.863511 (E_RNA)
where:
Base-Base interactions energy: -782.394
where: short stacking energy: -349.528
Base-Backbone interact. energy: -0.327
local terms energy: -422.142307
where:
bonds (distance) C4'-P energy: -89.750
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -90.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -800.485287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.485287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.485287 (E_RNA)
where:
Base-Base interactions energy: -460.989
where: short stacking energy: -221.184
Base-Backbone interact. energy: 0.783
local terms energy: -340.279021
where:
bonds (distance) C4'-P energy: -96.132
bonds (distance) P-C4' energy: -88.601
flat angles C4'-P-C4' energy: -82.721
flat angles P-C4'-P energy: -60.139
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -733.023687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.023687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.023687 (E_RNA)
where:
Base-Base interactions energy: -435.219
where: short stacking energy: -217.546
Base-Backbone interact. energy: 2.034
local terms energy: -299.838599
where:
bonds (distance) C4'-P energy: -80.545
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: -32.723
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: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -612.431241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.431241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.431241 (E_RNA)
where:
Base-Base interactions energy: -345.050
where: short stacking energy: -190.524
Base-Backbone interact. energy: 6.238
local terms energy: -273.619358
where:
bonds (distance) C4'-P energy: -75.408
bonds (distance) P-C4' energy: -87.945
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1771.693166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.693166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.693166 (E_RNA)
where:
Base-Base interactions energy: -1213.532
where: short stacking energy: -539.786
Base-Backbone interact. energy: -1.023
local terms energy: -557.137537
where:
bonds (distance) C4'-P energy: -90.312
bonds (distance) P-C4' energy: -94.083
flat angles C4'-P-C4' energy: -119.840
flat angles P-C4'-P energy: -82.020
tors. eta vs tors. theta energy: -170.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1679.077001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.077001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.077001 (E_RNA)
where:
Base-Base interactions energy: -1164.052
where: short stacking energy: -499.989
Base-Backbone interact. energy: -3.002
local terms energy: -512.023702
where:
bonds (distance) C4'-P energy: -100.408
bonds (distance) P-C4' energy: -86.395
flat angles C4'-P-C4' energy: -111.298
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -136.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1589.277225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.277225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.277225 (E_RNA)
where:
Base-Base interactions energy: -1100.233
where: short stacking energy: -464.324
Base-Backbone interact. energy: -0.466
local terms energy: -488.578780
where:
bonds (distance) C4'-P energy: -82.576
bonds (distance) P-C4' energy: -97.428
flat angles C4'-P-C4' energy: -97.640
flat angles P-C4'-P energy: -75.842
tors. eta vs tors. theta energy: -135.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1504.657686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.657686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.657686 (E_RNA)
where:
Base-Base interactions energy: -1050.123
where: short stacking energy: -432.507
Base-Backbone interact. energy: -2.465
local terms energy: -452.069488
where:
bonds (distance) C4'-P energy: -82.362
bonds (distance) P-C4' energy: -85.516
flat angles C4'-P-C4' energy: -94.301
flat angles P-C4'-P energy: -66.276
tors. eta vs tors. theta energy: -123.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1432.571574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.571574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.571574 (E_RNA)
where:
Base-Base interactions energy: -961.642
where: short stacking energy: -424.881
Base-Backbone interact. energy: -1.539
local terms energy: -469.390489
where:
bonds (distance) C4'-P energy: -91.919
bonds (distance) P-C4' energy: -92.999
flat angles C4'-P-C4' energy: -94.442
flat angles P-C4'-P energy: -73.212
tors. eta vs tors. theta energy: -116.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1346.375698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.375698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.375698 (E_RNA)
where:
Base-Base interactions energy: -931.245
where: short stacking energy: -394.363
Base-Backbone interact. energy: 0.709
local terms energy: -415.840022
where:
bonds (distance) C4'-P energy: -72.007
bonds (distance) P-C4' energy: -90.847
flat angles C4'-P-C4' energy: -90.258
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -102.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1193.475247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.475247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.475247 (E_RNA)
where:
Base-Base interactions energy: -800.284
where: short stacking energy: -349.202
Base-Backbone interact. energy: -1.664
local terms energy: -391.526624
where:
bonds (distance) C4'-P energy: -74.937
bonds (distance) P-C4' energy: -87.286
flat angles C4'-P-C4' energy: -90.222
flat angles P-C4'-P energy: -52.158
tors. eta vs tors. theta energy: -86.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -788.214550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.214550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.214550 (E_RNA)
where:
Base-Base interactions energy: -444.649
where: short stacking energy: -213.046
Base-Backbone interact. energy: 0.450
local terms energy: -344.015568
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -83.093
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -28.839
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: 200
Temperature: 1.300000
Total energy: -758.683951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.683951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.683951 (E_RNA)
where:
Base-Base interactions energy: -433.473
where: short stacking energy: -205.744
Base-Backbone interact. energy: 0.637
local terms energy: -325.847885
where:
bonds (distance) C4'-P energy: -97.582
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -55.426
tors. eta vs tors. theta energy: -27.580
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -525.899485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.899485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.899485 (E_RNA)
where:
Base-Base interactions energy: -258.077
where: short stacking energy: -171.503
Base-Backbone interact. energy: 0.123
local terms energy: -267.945186
where:
bonds (distance) C4'-P energy: -74.438
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1782.704774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.704774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.704774 (E_RNA)
where:
Base-Base interactions energy: -1228.625
where: short stacking energy: -557.095
Base-Backbone interact. energy: -1.433
local terms energy: -552.647026
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -106.574
flat angles C4'-P-C4' energy: -111.864
flat angles P-C4'-P energy: -66.613
tors. eta vs tors. theta energy: -171.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1690.668164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.668164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.668164 (E_RNA)
where:
Base-Base interactions energy: -1196.631
where: short stacking energy: -492.937
Base-Backbone interact. energy: -3.705
local terms energy: -490.332173
where:
bonds (distance) C4'-P energy: -89.804
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -110.655
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -136.206
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1592.769033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.769033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.769033 (E_RNA)
where:
Base-Base interactions energy: -1119.302
where: short stacking energy: -464.038
Base-Backbone interact. energy: -0.721
local terms energy: -472.746232
where:
bonds (distance) C4'-P energy: -78.320
bonds (distance) P-C4' energy: -87.931
flat angles C4'-P-C4' energy: -111.244
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -137.009
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: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1538.907159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.907159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.907159 (E_RNA)
where:
Base-Base interactions energy: -1040.352
where: short stacking energy: -434.800
Base-Backbone interact. energy: -3.128
local terms energy: -495.427668
where:
bonds (distance) C4'-P energy: -98.001
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -67.933
tors. eta vs tors. theta energy: -118.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1430.551984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.551984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.551984 (E_RNA)
where:
Base-Base interactions energy: -976.985
where: short stacking energy: -418.442
Base-Backbone interact. energy: 0.092
local terms energy: -453.659470
where:
bonds (distance) C4'-P energy: -88.248
bonds (distance) P-C4' energy: -77.817
flat angles C4'-P-C4' energy: -110.896
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -117.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1310.672123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.672123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.672123 (E_RNA)
where:
Base-Base interactions energy: -887.559
where: short stacking energy: -351.039
Base-Backbone interact. energy: 6.319
local terms energy: -429.431720
where:
bonds (distance) C4'-P energy: -89.074
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -87.566
flat angles P-C4'-P energy: -60.002
tors. eta vs tors. theta energy: -92.634
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1208.164145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.164145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.164145 (E_RNA)
where:
Base-Base interactions energy: -799.586
where: short stacking energy: -337.502
Base-Backbone interact. energy: -2.710
local terms energy: -405.867371
where:
bonds (distance) C4'-P energy: -81.808
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -60.397
tors. eta vs tors. theta energy: -92.799
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: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -797.295836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.295836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.295836 (E_RNA)
where:
Base-Base interactions energy: -459.480
where: short stacking energy: -236.395
Base-Backbone interact. energy: 0.634
local terms energy: -338.449702
where:
bonds (distance) C4'-P energy: -83.496
bonds (distance) P-C4' energy: -93.113
flat angles C4'-P-C4' energy: -89.676
flat angles P-C4'-P energy: -41.357
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -795.768173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.768173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.768173 (E_RNA)
where:
Base-Base interactions energy: -480.182
where: short stacking energy: -235.838
Base-Backbone interact. energy: 2.092
local terms energy: -317.678316
where:
bonds (distance) C4'-P energy: -81.394
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -42.608
tors. eta vs tors. theta energy: -39.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -530.274666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.274666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.274666 (E_RNA)
where:
Base-Base interactions energy: -249.138
where: short stacking energy: -153.906
Base-Backbone interact. energy: -0.504
local terms energy: -280.631957
where:
bonds (distance) C4'-P energy: -75.904
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -72.083
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1779.562243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.562243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.562243 (E_RNA)
where:
Base-Base interactions energy: -1211.980
where: short stacking energy: -548.503
Base-Backbone interact. energy: 0.819
local terms energy: -568.400857
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -116.770
flat angles P-C4'-P energy: -90.669
tors. eta vs tors. theta energy: -175.214
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1680.092044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.092044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.092044 (E_RNA)
where:
Base-Base interactions energy: -1178.033
where: short stacking energy: -493.259
Base-Backbone interact. energy: 1.445
local terms energy: -503.504334
where:
bonds (distance) C4'-P energy: -100.585
bonds (distance) P-C4' energy: -84.876
flat angles C4'-P-C4' energy: -105.876
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -137.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1548.298030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.298030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.298030 (E_RNA)
where:
Base-Base interactions energy: -1085.383
where: short stacking energy: -468.186
Base-Backbone interact. energy: -0.956
local terms energy: -461.958455
where:
bonds (distance) C4'-P energy: -86.078
bonds (distance) P-C4' energy: -85.093
flat angles C4'-P-C4' energy: -99.383
flat angles P-C4'-P energy: -63.639
tors. eta vs tors. theta energy: -127.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1551.656194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.656194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.656194 (E_RNA)
where:
Base-Base interactions energy: -1073.459
where: short stacking energy: -455.316
Base-Backbone interact. energy: -2.829
local terms energy: -475.368603
where:
bonds (distance) C4'-P energy: -73.254
bonds (distance) P-C4' energy: -103.539
flat angles C4'-P-C4' energy: -100.074
flat angles P-C4'-P energy: -65.155
tors. eta vs tors. theta energy: -133.347
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: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1419.982511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.982511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.982511 (E_RNA)
where:
Base-Base interactions energy: -999.548
where: short stacking energy: -419.283
Base-Backbone interact. energy: -2.538
local terms energy: -417.896522
where:
bonds (distance) C4'-P energy: -71.169
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -82.418
flat angles P-C4'-P energy: -66.063
tors. eta vs tors. theta energy: -109.941
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: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1313.969616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.969616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.969616 (E_RNA)
where:
Base-Base interactions energy: -908.338
where: short stacking energy: -391.178
Base-Backbone interact. energy: 2.696
local terms energy: -408.327963
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -73.922
flat angles C4'-P-C4' energy: -99.937
flat angles P-C4'-P energy: -58.538
tors. eta vs tors. theta energy: -98.270
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: 202
Temperature: 1.200000
Total energy: -1241.997714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.997714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.997714 (E_RNA)
where:
Base-Base interactions energy: -848.216
where: short stacking energy: -371.419
Base-Backbone interact. energy: -1.013
local terms energy: -392.769100
where:
bonds (distance) C4'-P energy: -70.837
bonds (distance) P-C4' energy: -91.265
flat angles C4'-P-C4' energy: -81.742
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -93.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -770.521709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.521709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.521709 (E_RNA)
where:
Base-Base interactions energy: -480.389
where: short stacking energy: -219.730
Base-Backbone interact. energy: -1.480
local terms energy: -288.652593
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -85.282
flat angles C4'-P-C4' energy: -72.775
flat angles P-C4'-P energy: -57.776
tors. eta vs tors. theta energy: -14.926
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: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -828.555799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.555799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.555799 (E_RNA)
where:
Base-Base interactions energy: -485.292
where: short stacking energy: -251.070
Base-Backbone interact. energy: 0.185
local terms energy: -343.449546
where:
bonds (distance) C4'-P energy: -72.089
bonds (distance) P-C4' energy: -69.448
flat angles C4'-P-C4' energy: -98.433
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -551.724660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.724660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.724660 (E_RNA)
where:
Base-Base interactions energy: -269.409
where: short stacking energy: -144.561
Base-Backbone interact. energy: -3.773
local terms energy: -278.542425
where:
bonds (distance) C4'-P energy: -80.391
bonds (distance) P-C4' energy: -91.106
flat angles C4'-P-C4' energy: -69.070
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1765.492242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.492242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.492242 (E_RNA)
where:
Base-Base interactions energy: -1229.588
where: short stacking energy: -532.413
Base-Backbone interact. energy: 0.179
local terms energy: -536.083012
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -94.186
flat angles C4'-P-C4' energy: -114.878
flat angles P-C4'-P energy: -69.221
tors. eta vs tors. theta energy: -164.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1656.586003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.586003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.586003 (E_RNA)
where:
Base-Base interactions energy: -1137.759
where: short stacking energy: -481.398
Base-Backbone interact. energy: -2.944
local terms energy: -515.883706
where:
bonds (distance) C4'-P energy: -104.991
bonds (distance) P-C4' energy: -78.960
flat angles C4'-P-C4' energy: -106.582
flat angles P-C4'-P energy: -77.602
tors. eta vs tors. theta energy: -147.748
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1517.776751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.776751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.776751 (E_RNA)
where:
Base-Base interactions energy: -1058.192
where: short stacking energy: -447.549
Base-Backbone interact. energy: -2.986
local terms energy: -456.598637
where:
bonds (distance) C4'-P energy: -79.323
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -107.658
flat angles P-C4'-P energy: -65.810
tors. eta vs tors. theta energy: -110.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1531.166276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.166276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.166276 (E_RNA)
where:
Base-Base interactions energy: -1031.881
where: short stacking energy: -435.320
Base-Backbone interact. energy: -1.886
local terms energy: -497.399770
where:
bonds (distance) C4'-P energy: -84.466
bonds (distance) P-C4' energy: -95.803
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -73.382
tors. eta vs tors. theta energy: -132.675
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: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1400.491207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.491207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.491207 (E_RNA)
where:
Base-Base interactions energy: -971.926
where: short stacking energy: -398.326
Base-Backbone interact. energy: -1.489
local terms energy: -427.075991
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -93.381
flat angles C4'-P-C4' energy: -97.499
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -93.558
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1367.487638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.487638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.487638 (E_RNA)
where:
Base-Base interactions energy: -950.781
where: short stacking energy: -400.721
Base-Backbone interact. energy: -0.225
local terms energy: -416.481093
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -86.140
flat angles C4'-P-C4' energy: -80.762
flat angles P-C4'-P energy: -64.542
tors. eta vs tors. theta energy: -105.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1273.640560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.640560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.640560 (E_RNA)
where:
Base-Base interactions energy: -887.731
where: short stacking energy: -378.743
Base-Backbone interact. energy: -1.758
local terms energy: -384.150959
where:
bonds (distance) C4'-P energy: -83.440
bonds (distance) P-C4' energy: -91.206
flat angles C4'-P-C4' energy: -71.452
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -95.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -853.781414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.781414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.781414 (E_RNA)
where:
Base-Base interactions energy: -503.780
where: short stacking energy: -265.032
Base-Backbone interact. energy: 0.865
local terms energy: -350.866512
where:
bonds (distance) C4'-P energy: -63.002
bonds (distance) P-C4' energy: -77.430
flat angles C4'-P-C4' energy: -94.608
flat angles P-C4'-P energy: -64.046
tors. eta vs tors. theta energy: -51.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -744.312166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.312166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.312166 (E_RNA)
where:
Base-Base interactions energy: -438.057
where: short stacking energy: -204.846
Base-Backbone interact. energy: -2.416
local terms energy: -303.839310
where:
bonds (distance) C4'-P energy: -77.024
bonds (distance) P-C4' energy: -70.964
flat angles C4'-P-C4' energy: -83.950
flat angles P-C4'-P energy: -53.627
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -481.301935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.301935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.301935 (E_RNA)
where:
Base-Base interactions energy: -204.779
where: short stacking energy: -147.422
Base-Backbone interact. energy: 0.636
local terms energy: -277.158486
where:
bonds (distance) C4'-P energy: -77.626
bonds (distance) P-C4' energy: -74.458
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1756.272729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.272729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.272729 (E_RNA)
where:
Base-Base interactions energy: -1181.773
where: short stacking energy: -540.722
Base-Backbone interact. energy: -1.016
local terms energy: -573.484331
where:
bonds (distance) C4'-P energy: -102.834
bonds (distance) P-C4' energy: -90.897
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -82.970
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: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1666.848499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.848499 (E_RNA)
where:
Base-Base interactions energy: -1184.367
where: short stacking energy: -466.844
Base-Backbone interact. energy: -2.828
local terms energy: -479.652782
where:
bonds (distance) C4'-P energy: -91.787
bonds (distance) P-C4' energy: -97.623
flat angles C4'-P-C4' energy: -102.083
flat angles P-C4'-P energy: -66.108
tors. eta vs tors. theta energy: -122.052
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: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1565.679081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.679081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.679081 (E_RNA)
where:
Base-Base interactions energy: -1075.844
where: short stacking energy: -454.430
Base-Backbone interact. energy: -3.233
local terms energy: -486.602201
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -99.207
flat angles P-C4'-P energy: -74.437
tors. eta vs tors. theta energy: -131.304
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: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1485.813021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.813021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.813021 (E_RNA)
where:
Base-Base interactions energy: -1013.233
where: short stacking energy: -400.341
Base-Backbone interact. energy: -1.414
local terms energy: -471.165981
where:
bonds (distance) C4'-P energy: -104.329
bonds (distance) P-C4' energy: -87.641
flat angles C4'-P-C4' energy: -97.238
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -111.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1426.708228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.708228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.708228 (E_RNA)
where:
Base-Base interactions energy: -998.539
where: short stacking energy: -416.556
Base-Backbone interact. energy: -1.704
local terms energy: -426.465209
where:
bonds (distance) C4'-P energy: -75.815
bonds (distance) P-C4' energy: -86.174
flat angles C4'-P-C4' energy: -91.484
flat angles P-C4'-P energy: -69.359
tors. eta vs tors. theta energy: -103.633
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: 204
Temperature: 1.150000
Total energy: -1385.447702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.447702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.447702 (E_RNA)
where:
Base-Base interactions energy: -939.410
where: short stacking energy: -390.571
Base-Backbone interact. energy: -3.650
local terms energy: -442.387040
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -87.574
flat angles C4'-P-C4' energy: -96.903
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -111.409
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: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1286.969502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.969502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.969502 (E_RNA)
where:
Base-Base interactions energy: -870.880
where: short stacking energy: -375.937
Base-Backbone interact. energy: 1.696
local terms energy: -417.785462
where:
bonds (distance) C4'-P energy: -79.797
bonds (distance) P-C4' energy: -86.996
flat angles C4'-P-C4' energy: -90.269
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -96.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -912.185933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.185933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.185933 (E_RNA)
where:
Base-Base interactions energy: -556.108
where: short stacking energy: -275.287
Base-Backbone interact. energy: -1.586
local terms energy: -354.491871
where:
bonds (distance) C4'-P energy: -79.993
bonds (distance) P-C4' energy: -89.112
flat angles C4'-P-C4' energy: -83.156
flat angles P-C4'-P energy: -51.441
tors. eta vs tors. theta energy: -50.790
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: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -734.395621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.395621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.395621 (E_RNA)
where:
Base-Base interactions energy: -411.856
where: short stacking energy: -201.768
Base-Backbone interact. energy: 1.323
local terms energy: -323.862281
where:
bonds (distance) C4'-P energy: -88.572
bonds (distance) P-C4' energy: -82.544
flat angles C4'-P-C4' energy: -77.288
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -397.188450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.188450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.188450 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -112.791
Base-Backbone interact. energy: -0.233
local terms energy: -242.597357
where:
bonds (distance) C4'-P energy: -72.585
bonds (distance) P-C4' energy: -86.049
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: 8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1772.324268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.324268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.324268 (E_RNA)
where:
Base-Base interactions energy: -1231.295
where: short stacking energy: -554.123
Base-Backbone interact. energy: 0.358
local terms energy: -541.387614
where:
bonds (distance) C4'-P energy: -88.677
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -111.253
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: -170.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1680.012833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.012833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.012833 (E_RNA)
where:
Base-Base interactions energy: -1180.785
where: short stacking energy: -481.862
Base-Backbone interact. energy: 0.749
local terms energy: -499.977535
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -99.518
flat angles C4'-P-C4' energy: -106.971
flat angles P-C4'-P energy: -73.338
tors. eta vs tors. theta energy: -132.709
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1591.009093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.009093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.009093 (E_RNA)
where:
Base-Base interactions energy: -1089.456
where: short stacking energy: -472.009
Base-Backbone interact. energy: -2.676
local terms energy: -498.877276
where:
bonds (distance) C4'-P energy: -89.806
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -71.324
tors. eta vs tors. theta energy: -137.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1474.214724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.214724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.214724 (E_RNA)
where:
Base-Base interactions energy: -1000.827
where: short stacking energy: -418.010
Base-Backbone interact. energy: 1.748
local terms energy: -475.135694
where:
bonds (distance) C4'-P energy: -100.999
bonds (distance) P-C4' energy: -101.625
flat angles C4'-P-C4' energy: -97.285
flat angles P-C4'-P energy: -65.640
tors. eta vs tors. theta energy: -109.586
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: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1369.181050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.181050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.181050 (E_RNA)
where:
Base-Base interactions energy: -951.855
where: short stacking energy: -384.548
Base-Backbone interact. energy: -1.773
local terms energy: -415.552864
where:
bonds (distance) C4'-P energy: -83.905
bonds (distance) P-C4' energy: -88.343
flat angles C4'-P-C4' energy: -96.015
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -86.992
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: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1353.302657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.302657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.302657 (E_RNA)
where:
Base-Base interactions energy: -908.748
where: short stacking energy: -409.617
Base-Backbone interact. energy: -2.419
local terms energy: -442.135910
where:
bonds (distance) C4'-P energy: -95.213
bonds (distance) P-C4' energy: -87.540
flat angles C4'-P-C4' energy: -92.765
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -102.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1154.368373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.368373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.368373 (E_RNA)
where:
Base-Base interactions energy: -789.844
where: short stacking energy: -336.664
Base-Backbone interact. energy: -1.122
local terms energy: -363.402165
where:
bonds (distance) C4'-P energy: -66.822
bonds (distance) P-C4' energy: -88.526
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -72.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -921.439578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.439578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.439578 (E_RNA)
where:
Base-Base interactions energy: -561.820
where: short stacking energy: -277.029
Base-Backbone interact. energy: -1.675
local terms energy: -357.944458
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -92.152
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -47.962
tors. eta vs tors. theta energy: -48.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -703.150398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.150398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.150398 (E_RNA)
where:
Base-Base interactions energy: -401.270
where: short stacking energy: -224.891
Base-Backbone interact. energy: -1.880
local terms energy: -300.000419
where:
bonds (distance) C4'-P energy: -67.311
bonds (distance) P-C4' energy: -94.998
flat angles C4'-P-C4' energy: -78.110
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -402.442823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.442823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.442823 (E_RNA)
where:
Base-Base interactions energy: -135.009
where: short stacking energy: -107.635
Base-Backbone interact. energy: -1.705
local terms energy: -265.728323
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -95.414
flat angles C4'-P-C4' energy: -79.591
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: 26.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1780.046998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.046998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.046998 (E_RNA)
where:
Base-Base interactions energy: -1208.280
where: short stacking energy: -538.111
Base-Backbone interact. energy: -1.419
local terms energy: -570.347604
where:
bonds (distance) C4'-P energy: -102.964
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -85.496
tors. eta vs tors. theta energy: -167.891
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: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1673.274685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.274685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.274685 (E_RNA)
where:
Base-Base interactions energy: -1176.563
where: short stacking energy: -476.250
Base-Backbone interact. energy: 4.389
local terms energy: -501.101455
where:
bonds (distance) C4'-P energy: -86.848
bonds (distance) P-C4' energy: -104.253
flat angles C4'-P-C4' energy: -106.911
flat angles P-C4'-P energy: -64.342
tors. eta vs tors. theta energy: -138.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1587.056068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.056068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.056068 (E_RNA)
where:
Base-Base interactions energy: -1093.854
where: short stacking energy: -464.932
Base-Backbone interact. energy: -0.209
local terms energy: -492.993028
where:
bonds (distance) C4'-P energy: -91.430
bonds (distance) P-C4' energy: -104.061
flat angles C4'-P-C4' energy: -102.744
flat angles P-C4'-P energy: -60.709
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: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1472.049232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.049232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.049232 (E_RNA)
where:
Base-Base interactions energy: -1004.904
where: short stacking energy: -428.771
Base-Backbone interact. energy: -1.151
local terms energy: -465.994391
where:
bonds (distance) C4'-P energy: -93.443
bonds (distance) P-C4' energy: -92.273
flat angles C4'-P-C4' energy: -96.199
flat angles P-C4'-P energy: -70.367
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: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1388.040269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.040269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.040269 (E_RNA)
where:
Base-Base interactions energy: -958.505
where: short stacking energy: -404.527
Base-Backbone interact. energy: 1.846
local terms energy: -431.380767
where:
bonds (distance) C4'-P energy: -85.225
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -94.890
flat angles P-C4'-P energy: -63.703
tors. eta vs tors. theta energy: -104.679
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1331.089889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.089889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.089889 (E_RNA)
where:
Base-Base interactions energy: -900.237
where: short stacking energy: -375.787
Base-Backbone interact. energy: -0.849
local terms energy: -430.003061
where:
bonds (distance) C4'-P energy: -85.662
bonds (distance) P-C4' energy: -95.550
flat angles C4'-P-C4' energy: -89.420
flat angles P-C4'-P energy: -65.116
tors. eta vs tors. theta energy: -94.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1193.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.896826 (E_RNA)
where:
Base-Base interactions energy: -801.845
where: short stacking energy: -371.177
Base-Backbone interact. energy: -1.144
local terms energy: -390.907558
where:
bonds (distance) C4'-P energy: -64.779
bonds (distance) P-C4' energy: -76.186
flat angles C4'-P-C4' energy: -103.354
flat angles P-C4'-P energy: -56.242
tors. eta vs tors. theta energy: -90.346
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: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -902.770764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.770764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.770764 (E_RNA)
where:
Base-Base interactions energy: -555.803
where: short stacking energy: -266.682
Base-Backbone interact. energy: -0.035
local terms energy: -346.933522
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -102.022
flat angles C4'-P-C4' energy: -73.376
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -662.041324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.041324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.041324 (E_RNA)
where:
Base-Base interactions energy: -333.206
where: short stacking energy: -177.779
Base-Backbone interact. energy: 3.741
local terms energy: -332.576816
where:
bonds (distance) C4'-P energy: -86.669
bonds (distance) P-C4' energy: -91.320
flat angles C4'-P-C4' energy: -83.094
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -547.000512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.000512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.000512 (E_RNA)
where:
Base-Base interactions energy: -278.128
where: short stacking energy: -160.705
Base-Backbone interact. energy: 0.634
local terms energy: -269.507138
where:
bonds (distance) C4'-P energy: -76.765
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -49.776
tors. eta vs tors. theta energy: -21.032
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: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1742.913506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.913506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.913506 (E_RNA)
where:
Base-Base interactions energy: -1195.576
where: short stacking energy: -557.446
Base-Backbone interact. energy: -1.513
local terms energy: -545.823991
where:
bonds (distance) C4'-P energy: -104.178
bonds (distance) P-C4' energy: -87.024
flat angles C4'-P-C4' energy: -113.820
flat angles P-C4'-P energy: -69.590
tors. eta vs tors. theta energy: -171.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1632.175475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.175475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.175475 (E_RNA)
where:
Base-Base interactions energy: -1122.988
where: short stacking energy: -480.123
Base-Backbone interact. energy: -0.039
local terms energy: -509.148091
where:
bonds (distance) C4'-P energy: -99.706
bonds (distance) P-C4' energy: -97.500
flat angles C4'-P-C4' energy: -100.058
flat angles P-C4'-P energy: -72.489
tors. eta vs tors. theta energy: -139.394
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: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1649.581981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.581981 (E_RNA)
where:
Base-Base interactions energy: -1143.042
where: short stacking energy: -463.402
Base-Backbone interact. energy: -0.151
local terms energy: -506.389504
where:
bonds (distance) C4'-P energy: -85.174
bonds (distance) P-C4' energy: -94.874
flat angles C4'-P-C4' energy: -113.108
flat angles P-C4'-P energy: -74.074
tors. eta vs tors. theta energy: -139.160
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: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1482.177780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.177780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.177780 (E_RNA)
where:
Base-Base interactions energy: -1018.457
where: short stacking energy: -430.166
Base-Backbone interact. energy: 0.551
local terms energy: -464.271511
where:
bonds (distance) C4'-P energy: -87.549
bonds (distance) P-C4' energy: -96.098
flat angles C4'-P-C4' energy: -104.705
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -107.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1360.126791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.126791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.126791 (E_RNA)
where:
Base-Base interactions energy: -955.207
where: short stacking energy: -406.310
Base-Backbone interact. energy: 7.975
local terms energy: -412.894864
where:
bonds (distance) C4'-P energy: -83.631
bonds (distance) P-C4' energy: -88.623
flat angles C4'-P-C4' energy: -92.653
flat angles P-C4'-P energy: -55.277
tors. eta vs tors. theta energy: -92.711
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: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1326.826262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.826262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.826262 (E_RNA)
where:
Base-Base interactions energy: -914.857
where: short stacking energy: -393.224
Base-Backbone interact. energy: 2.080
local terms energy: -414.049466
where:
bonds (distance) C4'-P energy: -97.746
bonds (distance) P-C4' energy: -73.748
flat angles C4'-P-C4' energy: -94.578
flat angles P-C4'-P energy: -61.005
tors. eta vs tors. theta energy: -86.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1161.076334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.076334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.076334 (E_RNA)
where:
Base-Base interactions energy: -751.449
where: short stacking energy: -356.793
Base-Backbone interact. energy: -1.077
local terms energy: -408.549892
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -82.688
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -97.142
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: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -865.029944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.029944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.029944 (E_RNA)
where:
Base-Base interactions energy: -525.338
where: short stacking energy: -240.911
Base-Backbone interact. energy: -0.794
local terms energy: -338.897719
where:
bonds (distance) C4'-P energy: -80.312
bonds (distance) P-C4' energy: -86.581
flat angles C4'-P-C4' energy: -78.850
flat angles P-C4'-P energy: -57.198
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -664.754818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.754818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.754818 (E_RNA)
where:
Base-Base interactions energy: -336.217
where: short stacking energy: -175.771
Base-Backbone interact. energy: 2.452
local terms energy: -330.990487
where:
bonds (distance) C4'-P energy: -76.303
bonds (distance) P-C4' energy: -93.903
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -60.517
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -480.368784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.368784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.368784 (E_RNA)
where:
Base-Base interactions energy: -239.261
where: short stacking energy: -145.198
Base-Backbone interact. energy: -0.743
local terms energy: -240.365570
where:
bonds (distance) C4'-P energy: -75.484
bonds (distance) P-C4' energy: -68.849
flat angles C4'-P-C4' energy: -71.085
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: 5.468
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1766.949331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.949331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.949331 (E_RNA)
where:
Base-Base interactions energy: -1206.384
where: short stacking energy: -529.593
Base-Backbone interact. energy: -1.258
local terms energy: -559.307157
where:
bonds (distance) C4'-P energy: -92.039
bonds (distance) P-C4' energy: -98.783
flat angles C4'-P-C4' energy: -123.458
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -172.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1644.478682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.478682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.478682 (E_RNA)
where:
Base-Base interactions energy: -1124.783
where: short stacking energy: -490.305
Base-Backbone interact. energy: -0.039
local terms energy: -519.657159
where:
bonds (distance) C4'-P energy: -104.017
bonds (distance) P-C4' energy: -89.496
flat angles C4'-P-C4' energy: -106.554
flat angles P-C4'-P energy: -67.250
tors. eta vs tors. theta energy: -152.340
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: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1611.432368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.432368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.432368 (E_RNA)
where:
Base-Base interactions energy: -1137.245
where: short stacking energy: -465.412
Base-Backbone interact. energy: -0.836
local terms energy: -473.351169
where:
bonds (distance) C4'-P energy: -83.145
bonds (distance) P-C4' energy: -88.659
flat angles C4'-P-C4' energy: -103.261
flat angles P-C4'-P energy: -64.135
tors. eta vs tors. theta energy: -134.151
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: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1483.838138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.838138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.838138 (E_RNA)
where:
Base-Base interactions energy: -1041.223
where: short stacking energy: -417.316
Base-Backbone interact. energy: 0.682
local terms energy: -443.296759
where:
bonds (distance) C4'-P energy: -92.410
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -93.574
flat angles P-C4'-P energy: -62.819
tors. eta vs tors. theta energy: -104.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1388.667905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.667905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.667905 (E_RNA)
where:
Base-Base interactions energy: -950.150
where: short stacking energy: -404.663
Base-Backbone interact. energy: 0.750
local terms energy: -439.267998
where:
bonds (distance) C4'-P energy: -86.207
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -99.820
flat angles P-C4'-P energy: -69.463
tors. eta vs tors. theta energy: -98.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1338.352197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.352197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.352197 (E_RNA)
where:
Base-Base interactions energy: -900.703
where: short stacking energy: -372.496
Base-Backbone interact. energy: -1.865
local terms energy: -435.784112
where:
bonds (distance) C4'-P energy: -83.546
bonds (distance) P-C4' energy: -90.361
flat angles C4'-P-C4' energy: -98.626
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -104.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1164.304794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.304794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.304794 (E_RNA)
where:
Base-Base interactions energy: -787.624
where: short stacking energy: -325.859
Base-Backbone interact. energy: -1.129
local terms energy: -375.552353
where:
bonds (distance) C4'-P energy: -86.095
bonds (distance) P-C4' energy: -73.951
flat angles C4'-P-C4' energy: -90.659
flat angles P-C4'-P energy: -49.221
tors. eta vs tors. theta energy: -75.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -903.939263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.939263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.939263 (E_RNA)
where:
Base-Base interactions energy: -578.484
where: short stacking energy: -281.870
Base-Backbone interact. energy: 1.311
local terms energy: -326.765660
where:
bonds (distance) C4'-P energy: -73.481
bonds (distance) P-C4' energy: -66.270
flat angles C4'-P-C4' energy: -94.801
flat angles P-C4'-P energy: -54.327
tors. eta vs tors. theta energy: -37.887
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: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -661.569321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.569321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.569321 (E_RNA)
where:
Base-Base interactions energy: -344.373
where: short stacking energy: -189.723
Base-Backbone interact. energy: -1.588
local terms energy: -315.608819
where:
bonds (distance) C4'-P energy: -91.541
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -84.053
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -13.779
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: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -503.083868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.083868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.083868 (E_RNA)
where:
Base-Base interactions energy: -246.645
where: short stacking energy: -140.517
Base-Backbone interact. energy: 1.851
local terms energy: -258.290020
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -95.873
flat angles C4'-P-C4' energy: -66.345
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1759.901309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.901309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.901309 (E_RNA)
where:
Base-Base interactions energy: -1209.912
where: short stacking energy: -544.573
Base-Backbone interact. energy: -3.084
local terms energy: -546.905893
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -113.046
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -173.886
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: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1655.817054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.817054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.817054 (E_RNA)
where:
Base-Base interactions energy: -1134.427
where: short stacking energy: -485.901
Base-Backbone interact. energy: -1.851
local terms energy: -519.539440
where:
bonds (distance) C4'-P energy: -100.075
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -106.597
flat angles P-C4'-P energy: -75.814
tors. eta vs tors. theta energy: -140.156
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: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1627.251859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.251859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.251859 (E_RNA)
where:
Base-Base interactions energy: -1143.190
where: short stacking energy: -479.525
Base-Backbone interact. energy: -1.633
local terms energy: -482.429168
where:
bonds (distance) C4'-P energy: -90.749
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -105.935
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -136.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1423.629269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.629269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.629269 (E_RNA)
where:
Base-Base interactions energy: -983.858
where: short stacking energy: -415.080
Base-Backbone interact. energy: -2.191
local terms energy: -437.580502
where:
bonds (distance) C4'-P energy: -82.783
bonds (distance) P-C4' energy: -85.853
flat angles C4'-P-C4' energy: -97.803
flat angles P-C4'-P energy: -68.941
tors. eta vs tors. theta energy: -102.201
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: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1386.016329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.016329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.016329 (E_RNA)
where:
Base-Base interactions energy: -954.669
where: short stacking energy: -389.030
Base-Backbone interact. energy: 0.411
local terms energy: -431.757851
where:
bonds (distance) C4'-P energy: -78.113
bonds (distance) P-C4' energy: -92.771
flat angles C4'-P-C4' energy: -94.618
flat angles P-C4'-P energy: -71.297
tors. eta vs tors. theta energy: -94.959
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: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1337.613590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.613590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.613590 (E_RNA)
where:
Base-Base interactions energy: -902.374
where: short stacking energy: -386.335
Base-Backbone interact. energy: -1.659
local terms energy: -433.581091
where:
bonds (distance) C4'-P energy: -75.408
bonds (distance) P-C4' energy: -91.268
flat angles C4'-P-C4' energy: -87.507
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -105.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1215.819340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.819340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.819340 (E_RNA)
where:
Base-Base interactions energy: -801.864
where: short stacking energy: -370.982
Base-Backbone interact. energy: 1.560
local terms energy: -415.516097
where:
bonds (distance) C4'-P energy: -84.192
bonds (distance) P-C4' energy: -87.410
flat angles C4'-P-C4' energy: -86.003
flat angles P-C4'-P energy: -65.724
tors. eta vs tors. theta energy: -92.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -879.403593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.403593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.403593 (E_RNA)
where:
Base-Base interactions energy: -551.172
where: short stacking energy: -270.328
Base-Backbone interact. energy: -2.412
local terms energy: -325.818864
where:
bonds (distance) C4'-P energy: -76.857
bonds (distance) P-C4' energy: -86.446
flat angles C4'-P-C4' energy: -70.583
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -40.372
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -673.542607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.542607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.542607 (E_RNA)
where:
Base-Base interactions energy: -383.756
where: short stacking energy: -218.103
Base-Backbone interact. energy: -0.542
local terms energy: -289.243893
where:
bonds (distance) C4'-P energy: -78.030
bonds (distance) P-C4' energy: -69.710
flat angles C4'-P-C4' energy: -77.497
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -498.783653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.783653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.783653 (E_RNA)
where:
Base-Base interactions energy: -227.653
where: short stacking energy: -152.952
Base-Backbone interact. energy: 2.328
local terms energy: -273.458595
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -81.859
flat angles C4'-P-C4' energy: -72.190
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -2.728
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: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1770.659642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.659642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.659642 (E_RNA)
where:
Base-Base interactions energy: -1216.815
where: short stacking energy: -527.251
Base-Backbone interact. energy: -2.075
local terms energy: -551.769208
where:
bonds (distance) C4'-P energy: -105.485
bonds (distance) P-C4' energy: -82.010
flat angles C4'-P-C4' energy: -115.528
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -169.129
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1667.130606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.130606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.130606 (E_RNA)
where:
Base-Base interactions energy: -1130.549
where: short stacking energy: -496.783
Base-Backbone interact. energy: -0.108
local terms energy: -536.472714
where:
bonds (distance) C4'-P energy: -98.828
bonds (distance) P-C4' energy: -96.586
flat angles C4'-P-C4' energy: -114.044
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -145.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1609.556708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.556708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.556708 (E_RNA)
where:
Base-Base interactions energy: -1123.125
where: short stacking energy: -457.458
Base-Backbone interact. energy: -2.135
local terms energy: -484.297554
where:
bonds (distance) C4'-P energy: -96.920
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -107.329
flat angles P-C4'-P energy: -67.416
tors. eta vs tors. theta energy: -123.637
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: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1480.459184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.459184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.459184 (E_RNA)
where:
Base-Base interactions energy: -1032.272
where: short stacking energy: -436.048
Base-Backbone interact. energy: -1.655
local terms energy: -446.532181
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -87.707
flat angles C4'-P-C4' energy: -105.729
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -119.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1367.654456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.654456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.654456 (E_RNA)
where:
Base-Base interactions energy: -936.467
where: short stacking energy: -418.194
Base-Backbone interact. energy: -2.896
local terms energy: -428.291348
where:
bonds (distance) C4'-P energy: -85.369
bonds (distance) P-C4' energy: -79.901
flat angles C4'-P-C4' energy: -96.228
flat angles P-C4'-P energy: -65.988
tors. eta vs tors. theta energy: -100.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1323.748993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.748993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.748993 (E_RNA)
where:
Base-Base interactions energy: -893.739
where: short stacking energy: -396.581
Base-Backbone interact. energy: -2.126
local terms energy: -427.884212
where:
bonds (distance) C4'-P energy: -87.581
bonds (distance) P-C4' energy: -92.186
flat angles C4'-P-C4' energy: -92.595
flat angles P-C4'-P energy: -60.106
tors. eta vs tors. theta energy: -95.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1185.793160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.793160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.793160 (E_RNA)
where:
Base-Base interactions energy: -780.211
where: short stacking energy: -340.712
Base-Backbone interact. energy: -1.233
local terms energy: -404.349414
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -93.817
flat angles C4'-P-C4' energy: -89.969
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -84.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -847.485184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.485184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.485184 (E_RNA)
where:
Base-Base interactions energy: -507.784
where: short stacking energy: -252.615
Base-Backbone interact. energy: -0.295
local terms energy: -339.405709
where:
bonds (distance) C4'-P energy: -83.848
bonds (distance) P-C4' energy: -87.083
flat angles C4'-P-C4' energy: -86.865
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -38.176
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: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -708.934642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.934642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.934642 (E_RNA)
where:
Base-Base interactions energy: -413.183
where: short stacking energy: -177.413
Base-Backbone interact. energy: 2.188
local terms energy: -297.940159
where:
bonds (distance) C4'-P energy: -82.810
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -74.678
flat angles P-C4'-P energy: -46.989
tors. eta vs tors. theta energy: -14.314
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -467.375869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.375869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.375869 (E_RNA)
where:
Base-Base interactions energy: -194.592
where: short stacking energy: -144.835
Base-Backbone interact. energy: 5.143
local terms energy: -277.926524
where:
bonds (distance) C4'-P energy: -70.832
bonds (distance) P-C4' energy: -94.836
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -51.634
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1775.322635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.322635 (E_RNA)
where:
Base-Base interactions energy: -1216.516
where: short stacking energy: -553.362
Base-Backbone interact. energy: -2.178
local terms energy: -556.629088
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -100.495
flat angles C4'-P-C4' energy: -116.077
flat angles P-C4'-P energy: -71.813
tors. eta vs tors. theta energy: -171.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1694.150580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.150580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.150580 (E_RNA)
where:
Base-Base interactions energy: -1156.966
where: short stacking energy: -519.824
Base-Backbone interact. energy: -1.402
local terms energy: -535.783216
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -109.767
flat angles C4'-P-C4' energy: -113.557
flat angles P-C4'-P energy: -58.649
tors. eta vs tors. theta energy: -154.372
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: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1597.252651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.252651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.252651 (E_RNA)
where:
Base-Base interactions energy: -1115.534
where: short stacking energy: -460.669
Base-Backbone interact. energy: -3.301
local terms energy: -478.418231
where:
bonds (distance) C4'-P energy: -103.555
bonds (distance) P-C4' energy: -75.410
flat angles C4'-P-C4' energy: -104.832
flat angles P-C4'-P energy: -73.139
tors. eta vs tors. theta energy: -121.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1512.027034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.027034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.027034 (E_RNA)
where:
Base-Base interactions energy: -1053.604
where: short stacking energy: -437.837
Base-Backbone interact. energy: -3.518
local terms energy: -454.905067
where:
bonds (distance) C4'-P energy: -95.385
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -100.078
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -109.037
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: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1352.788986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.788986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.788986 (E_RNA)
where:
Base-Base interactions energy: -928.359
where: short stacking energy: -397.721
Base-Backbone interact. energy: 2.123
local terms energy: -426.553190
where:
bonds (distance) C4'-P energy: -84.741
bonds (distance) P-C4' energy: -87.230
flat angles C4'-P-C4' energy: -92.761
flat angles P-C4'-P energy: -58.505
tors. eta vs tors. theta energy: -103.316
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: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1328.602839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.602839 (E_RNA)
where:
Base-Base interactions energy: -897.212
where: short stacking energy: -398.730
Base-Backbone interact. energy: -0.270
local terms energy: -431.120496
where:
bonds (distance) C4'-P energy: -68.280
bonds (distance) P-C4' energy: -84.695
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -73.292
tors. eta vs tors. theta energy: -102.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1217.503031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.503031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.503031 (E_RNA)
where:
Base-Base interactions energy: -831.984
where: short stacking energy: -342.952
Base-Backbone interact. energy: 0.826
local terms energy: -386.344852
where:
bonds (distance) C4'-P energy: -75.598
bonds (distance) P-C4' energy: -79.061
flat angles C4'-P-C4' energy: -82.616
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -85.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -865.483940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.483940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.483940 (E_RNA)
where:
Base-Base interactions energy: -520.566
where: short stacking energy: -244.186
Base-Backbone interact. energy: -2.533
local terms energy: -342.385175
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -89.563
flat angles C4'-P-C4' energy: -67.954
flat angles P-C4'-P energy: -62.716
tors. eta vs tors. theta energy: -34.241
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -771.025697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.025697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.025697 (E_RNA)
where:
Base-Base interactions energy: -459.381
where: short stacking energy: -219.815
Base-Backbone interact. energy: 3.039
local terms energy: -314.683510
where:
bonds (distance) C4'-P energy: -75.921
bonds (distance) P-C4' energy: -82.854
flat angles C4'-P-C4' energy: -83.857
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -417.939537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.939537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.939537 (E_RNA)
where:
Base-Base interactions energy: -167.035
where: short stacking energy: -123.812
Base-Backbone interact. energy: 4.900
local terms energy: -255.803750
where:
bonds (distance) C4'-P energy: -71.919
bonds (distance) P-C4' energy: -85.048
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -35.421
tors. eta vs tors. theta energy: 14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1787.890619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.890619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.890619 (E_RNA)
where:
Base-Base interactions energy: -1212.886
where: short stacking energy: -565.281
Base-Backbone interact. energy: -1.555
local terms energy: -573.449649
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -102.618
flat angles C4'-P-C4' energy: -112.310
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -180.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1677.229040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.229040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.229040 (E_RNA)
where:
Base-Base interactions energy: -1139.051
where: short stacking energy: -530.607
Base-Backbone interact. energy: -0.733
local terms energy: -537.444864
where:
bonds (distance) C4'-P energy: -97.856
bonds (distance) P-C4' energy: -94.024
flat angles C4'-P-C4' energy: -105.996
flat angles P-C4'-P energy: -79.118
tors. eta vs tors. theta energy: -160.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1596.143384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.143384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.143384 (E_RNA)
where:
Base-Base interactions energy: -1086.808
where: short stacking energy: -464.096
Base-Backbone interact. energy: -1.793
local terms energy: -507.543188
where:
bonds (distance) C4'-P energy: -90.146
bonds (distance) P-C4' energy: -107.326
flat angles C4'-P-C4' energy: -96.780
flat angles P-C4'-P energy: -82.595
tors. eta vs tors. theta energy: -130.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1472.081631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.081631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.081631 (E_RNA)
where:
Base-Base interactions energy: -1025.460
where: short stacking energy: -436.012
Base-Backbone interact. energy: -0.380
local terms energy: -446.241775
where:
bonds (distance) C4'-P energy: -94.027
bonds (distance) P-C4' energy: -81.066
flat angles C4'-P-C4' energy: -95.930
flat angles P-C4'-P energy: -52.639
tors. eta vs tors. theta energy: -122.580
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: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1405.098882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.098882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.098882 (E_RNA)
where:
Base-Base interactions energy: -984.360
where: short stacking energy: -419.227
Base-Backbone interact. energy: -2.831
local terms energy: -417.908785
where:
bonds (distance) C4'-P energy: -77.773
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -102.653
flat angles P-C4'-P energy: -63.084
tors. eta vs tors. theta energy: -99.188
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1302.700245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.700245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.700245 (E_RNA)
where:
Base-Base interactions energy: -866.435
where: short stacking energy: -390.034
Base-Backbone interact. energy: -0.093
local terms energy: -436.172228
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -95.557
flat angles C4'-P-C4' energy: -90.501
flat angles P-C4'-P energy: -63.661
tors. eta vs tors. theta energy: -98.973
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1232.247110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.247110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.247110 (E_RNA)
where:
Base-Base interactions energy: -842.077
where: short stacking energy: -361.614
Base-Backbone interact. energy: 4.806
local terms energy: -394.975893
where:
bonds (distance) C4'-P energy: -87.604
bonds (distance) P-C4' energy: -81.715
flat angles C4'-P-C4' energy: -87.851
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -84.488
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: 212
Temperature: 1.250000
Total energy: -900.393564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.393564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.393564 (E_RNA)
where:
Base-Base interactions energy: -555.967
where: short stacking energy: -275.704
Base-Backbone interact. energy: -0.602
local terms energy: -343.824618
where:
bonds (distance) C4'-P energy: -75.503
bonds (distance) P-C4' energy: -86.501
flat angles C4'-P-C4' energy: -81.733
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -45.766
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: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -775.100490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.100490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.100490 (E_RNA)
where:
Base-Base interactions energy: -450.253
where: short stacking energy: -204.780
Base-Backbone interact. energy: 2.339
local terms energy: -327.186720
where:
bonds (distance) C4'-P energy: -88.931
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -85.249
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -445.910075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.910075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.910075 (E_RNA)
where:
Base-Base interactions energy: -197.440
where: short stacking energy: -124.705
Base-Backbone interact. energy: 2.494
local terms energy: -250.963452
where:
bonds (distance) C4'-P energy: -70.888
bonds (distance) P-C4' energy: -90.603
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: 9.738
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: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1762.629664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.629664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.629664 (E_RNA)
where:
Base-Base interactions energy: -1202.139
where: short stacking energy: -538.414
Base-Backbone interact. energy: -1.280
local terms energy: -559.210638
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -115.153
flat angles P-C4'-P energy: -77.380
tors. eta vs tors. theta energy: -176.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1646.148697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.148697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.148697 (E_RNA)
where:
Base-Base interactions energy: -1130.409
where: short stacking energy: -499.033
Base-Backbone interact. energy: -1.827
local terms energy: -513.912272
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -94.360
flat angles C4'-P-C4' energy: -108.497
flat angles P-C4'-P energy: -70.571
tors. eta vs tors. theta energy: -143.871
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: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1562.846995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.846995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.846995 (E_RNA)
where:
Base-Base interactions energy: -1090.387
where: short stacking energy: -439.998
Base-Backbone interact. energy: -1.463
local terms energy: -470.997073
where:
bonds (distance) C4'-P energy: -84.238
bonds (distance) P-C4' energy: -91.971
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -123.673
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1527.149046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.149046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.149046 (E_RNA)
where:
Base-Base interactions energy: -1068.067
where: short stacking energy: -422.224
Base-Backbone interact. energy: -0.870
local terms energy: -458.212132
where:
bonds (distance) C4'-P energy: -80.625
bonds (distance) P-C4' energy: -89.435
flat angles C4'-P-C4' energy: -105.569
flat angles P-C4'-P energy: -67.936
tors. eta vs tors. theta energy: -114.648
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1391.364583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.364583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.364583 (E_RNA)
where:
Base-Base interactions energy: -945.969
where: short stacking energy: -414.463
Base-Backbone interact. energy: -4.786
local terms energy: -440.609577
where:
bonds (distance) C4'-P energy: -75.394
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -100.451
flat angles P-C4'-P energy: -63.035
tors. eta vs tors. theta energy: -105.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1253.412731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.412731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.412731 (E_RNA)
where:
Base-Base interactions energy: -826.054
where: short stacking energy: -343.137
Base-Backbone interact. energy: -2.148
local terms energy: -425.211149
where:
bonds (distance) C4'-P energy: -89.842
bonds (distance) P-C4' energy: -87.160
flat angles C4'-P-C4' energy: -95.343
flat angles P-C4'-P energy: -70.844
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: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1207.086429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.086429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.086429 (E_RNA)
where:
Base-Base interactions energy: -821.472
where: short stacking energy: -350.884
Base-Backbone interact. energy: 0.057
local terms energy: -385.672005
where:
bonds (distance) C4'-P energy: -78.211
bonds (distance) P-C4' energy: -98.383
flat angles C4'-P-C4' energy: -87.850
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -80.807
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: 213
Temperature: 1.250000
Total energy: -858.557182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.557182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.557182 (E_RNA)
where:
Base-Base interactions energy: -495.268
where: short stacking energy: -252.857
Base-Backbone interact. energy: -0.417
local terms energy: -362.872758
where:
bonds (distance) C4'-P energy: -75.013
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -83.543
flat angles P-C4'-P energy: -58.413
tors. eta vs tors. theta energy: -48.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -801.783097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.783097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.783097 (E_RNA)
where:
Base-Base interactions energy: -479.004
where: short stacking energy: -229.924
Base-Backbone interact. energy: -2.795
local terms energy: -319.983768
where:
bonds (distance) C4'-P energy: -86.119
bonds (distance) P-C4' energy: -71.945
flat angles C4'-P-C4' energy: -66.581
flat angles P-C4'-P energy: -59.781
tors. eta vs tors. theta energy: -35.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -464.800744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.800744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.800744 (E_RNA)
where:
Base-Base interactions energy: -205.044
where: short stacking energy: -126.548
Base-Backbone interact. energy: -1.474
local terms energy: -258.282605
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -55.353
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: 3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1758.640860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.640860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.640860 (E_RNA)
where:
Base-Base interactions energy: -1203.755
where: short stacking energy: -539.926
Base-Backbone interact. energy: -1.677
local terms energy: -553.208673
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -92.760
flat angles C4'-P-C4' energy: -113.963
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -173.116
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: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1664.460050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.460050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.460050 (E_RNA)
where:
Base-Base interactions energy: -1138.123
where: short stacking energy: -495.092
Base-Backbone interact. energy: -0.310
local terms energy: -526.027759
where:
bonds (distance) C4'-P energy: -99.151
bonds (distance) P-C4' energy: -101.012
flat angles C4'-P-C4' energy: -101.204
flat angles P-C4'-P energy: -78.939
tors. eta vs tors. theta energy: -145.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1589.584085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.584085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.584085 (E_RNA)
where:
Base-Base interactions energy: -1099.153
where: short stacking energy: -463.537
Base-Backbone interact. energy: -3.282
local terms energy: -487.148508
where:
bonds (distance) C4'-P energy: -91.319
bonds (distance) P-C4' energy: -88.521
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -69.763
tors. eta vs tors. theta energy: -136.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1484.423901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.423901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.423901 (E_RNA)
where:
Base-Base interactions energy: -1037.555
where: short stacking energy: -430.949
Base-Backbone interact. energy: 0.450
local terms energy: -447.318721
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -84.469
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -65.433
tors. eta vs tors. theta energy: -110.444
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1366.034780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.034780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.034780 (E_RNA)
where:
Base-Base interactions energy: -915.569
where: short stacking energy: -392.117
Base-Backbone interact. energy: 1.979
local terms energy: -452.444624
where:
bonds (distance) C4'-P energy: -98.258
bonds (distance) P-C4' energy: -85.598
flat angles C4'-P-C4' energy: -96.646
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -114.221
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: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1315.698878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.698878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.698878 (E_RNA)
where:
Base-Base interactions energy: -876.378
where: short stacking energy: -383.189
Base-Backbone interact. energy: -2.597
local terms energy: -436.723754
where:
bonds (distance) C4'-P energy: -91.581
bonds (distance) P-C4' energy: -83.864
flat angles C4'-P-C4' energy: -91.727
flat angles P-C4'-P energy: -64.763
tors. eta vs tors. theta energy: -104.789
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: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1162.094610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.094610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.094610 (E_RNA)
where:
Base-Base interactions energy: -755.824
where: short stacking energy: -351.568
Base-Backbone interact. energy: -1.079
local terms energy: -405.191479
where:
bonds (distance) C4'-P energy: -94.346
bonds (distance) P-C4' energy: -77.930
flat angles C4'-P-C4' energy: -87.844
flat angles P-C4'-P energy: -56.737
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: 214
Temperature: 1.250000
Total energy: -879.291497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.291497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.291497 (E_RNA)
where:
Base-Base interactions energy: -543.961
where: short stacking energy: -254.854
Base-Backbone interact. energy: 9.285
local terms energy: -344.615367
where:
bonds (distance) C4'-P energy: -84.484
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -78.036
flat angles P-C4'-P energy: -58.205
tors. eta vs tors. theta energy: -40.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -825.321515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.321515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.321515 (E_RNA)
where:
Base-Base interactions energy: -504.167
where: short stacking energy: -251.125
Base-Backbone interact. energy: -0.284
local terms energy: -320.869992
where:
bonds (distance) C4'-P energy: -79.262
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -78.417
flat angles P-C4'-P energy: -47.318
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -466.833132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.833132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.833132 (E_RNA)
where:
Base-Base interactions energy: -218.526
where: short stacking energy: -146.536
Base-Backbone interact. energy: 4.709
local terms energy: -253.016030
where:
bonds (distance) C4'-P energy: -72.441
bonds (distance) P-C4' energy: -85.440
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -29.043
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1767.767113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.767113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.767113 (E_RNA)
where:
Base-Base interactions energy: -1208.464
where: short stacking energy: -540.517
Base-Backbone interact. energy: -2.525
local terms energy: -556.777986
where:
bonds (distance) C4'-P energy: -91.780
bonds (distance) P-C4' energy: -102.622
flat angles C4'-P-C4' energy: -114.569
flat angles P-C4'-P energy: -73.935
tors. eta vs tors. theta energy: -173.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1656.487356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.487356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.487356 (E_RNA)
where:
Base-Base interactions energy: -1164.281
where: short stacking energy: -507.169
Base-Backbone interact. energy: -0.377
local terms energy: -491.829065
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -83.400
flat angles C4'-P-C4' energy: -98.704
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -147.592
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1598.315343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.315343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.315343 (E_RNA)
where:
Base-Base interactions energy: -1117.353
where: short stacking energy: -479.395
Base-Backbone interact. energy: -1.101
local terms energy: -479.861420
where:
bonds (distance) C4'-P energy: -86.462
bonds (distance) P-C4' energy: -91.621
flat angles C4'-P-C4' energy: -107.172
flat angles P-C4'-P energy: -68.690
tors. eta vs tors. theta energy: -125.916
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1463.526158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.526158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.526158 (E_RNA)
where:
Base-Base interactions energy: -993.159
where: short stacking energy: -420.374
Base-Backbone interact. energy: -2.897
local terms energy: -467.469786
where:
bonds (distance) C4'-P energy: -91.946
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -107.121
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -107.702
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1408.506303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.506303 (E_RNA)
where:
Base-Base interactions energy: -979.729
where: short stacking energy: -420.567
Base-Backbone interact. energy: -3.398
local terms energy: -425.379584
where:
bonds (distance) C4'-P energy: -70.815
bonds (distance) P-C4' energy: -86.972
flat angles C4'-P-C4' energy: -103.858
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -112.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1217.315858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.315858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.315858 (E_RNA)
where:
Base-Base interactions energy: -827.059
where: short stacking energy: -368.918
Base-Backbone interact. energy: -1.048
local terms energy: -389.208919
where:
bonds (distance) C4'-P energy: -82.891
bonds (distance) P-C4' energy: -78.046
flat angles C4'-P-C4' energy: -89.697
flat angles P-C4'-P energy: -62.141
tors. eta vs tors. theta energy: -76.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1268.052628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.052628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.052628 (E_RNA)
where:
Base-Base interactions energy: -849.557
where: short stacking energy: -373.797
Base-Backbone interact. energy: -4.165
local terms energy: -414.330634
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -85.470
flat angles C4'-P-C4' energy: -93.849
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: -93.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -867.726066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.726066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.726066 (E_RNA)
where:
Base-Base interactions energy: -525.833
where: short stacking energy: -236.545
Base-Backbone interact. energy: 0.506
local terms energy: -342.399021
where:
bonds (distance) C4'-P energy: -81.725
bonds (distance) P-C4' energy: -72.918
flat angles C4'-P-C4' energy: -97.819
flat angles P-C4'-P energy: -48.886
tors. eta vs tors. theta energy: -41.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -851.503188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.503188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.503188 (E_RNA)
where:
Base-Base interactions energy: -510.263
where: short stacking energy: -243.568
Base-Backbone interact. energy: 0.123
local terms energy: -341.362906
where:
bonds (distance) C4'-P energy: -81.791
bonds (distance) P-C4' energy: -94.046
flat angles C4'-P-C4' energy: -81.501
flat angles P-C4'-P energy: -53.410
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -501.995178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.995178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.995178 (E_RNA)
where:
Base-Base interactions energy: -243.412
where: short stacking energy: -150.041
Base-Backbone interact. energy: -1.022
local terms energy: -257.561207
where:
bonds (distance) C4'-P energy: -78.281
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -80.244
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1768.891942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.891942 (E_RNA)
where:
Base-Base interactions energy: -1197.892
where: short stacking energy: -541.887
Base-Backbone interact. energy: -3.597
local terms energy: -567.403657
where:
bonds (distance) C4'-P energy: -97.352
bonds (distance) P-C4' energy: -104.435
flat angles C4'-P-C4' energy: -116.212
flat angles P-C4'-P energy: -73.775
tors. eta vs tors. theta energy: -175.631
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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1644.070316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.070316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.070316 (E_RNA)
where:
Base-Base interactions energy: -1130.403
where: short stacking energy: -492.715
Base-Backbone interact. energy: -1.549
local terms energy: -512.117419
where:
bonds (distance) C4'-P energy: -94.943
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -108.449
flat angles P-C4'-P energy: -68.467
tors. eta vs tors. theta energy: -143.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1556.589742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.589742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.589742 (E_RNA)
where:
Base-Base interactions energy: -1094.475
where: short stacking energy: -458.398
Base-Backbone interact. energy: 0.485
local terms energy: -462.600012
where:
bonds (distance) C4'-P energy: -75.661
bonds (distance) P-C4' energy: -86.849
flat angles C4'-P-C4' energy: -100.828
flat angles P-C4'-P energy: -70.899
tors. eta vs tors. theta energy: -128.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1499.308966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.308966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.308966 (E_RNA)
where:
Base-Base interactions energy: -1020.517
where: short stacking energy: -421.273
Base-Backbone interact. energy: -0.305
local terms energy: -478.486909
where:
bonds (distance) C4'-P energy: -92.634
bonds (distance) P-C4' energy: -102.880
flat angles C4'-P-C4' energy: -107.090
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -116.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1464.720974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.720974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.720974 (E_RNA)
where:
Base-Base interactions energy: -1017.711
where: short stacking energy: -450.366
Base-Backbone interact. energy: -1.061
local terms energy: -445.948565
where:
bonds (distance) C4'-P energy: -67.288
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -103.163
flat angles P-C4'-P energy: -66.896
tors. eta vs tors. theta energy: -116.795
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: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1239.808763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.808763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.808763 (E_RNA)
where:
Base-Base interactions energy: -857.414
where: short stacking energy: -376.556
Base-Backbone interact. energy: -0.336
local terms energy: -382.058734
where:
bonds (distance) C4'-P energy: -82.860
bonds (distance) P-C4' energy: -83.840
flat angles C4'-P-C4' energy: -87.294
flat angles P-C4'-P energy: -56.397
tors. eta vs tors. theta energy: -71.668
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: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1172.548201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.548201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.548201 (E_RNA)
where:
Base-Base interactions energy: -769.965
where: short stacking energy: -319.689
Base-Backbone interact. energy: 0.216
local terms energy: -402.798809
where:
bonds (distance) C4'-P energy: -78.001
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -87.271
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -71.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -836.098884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.098884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.098884 (E_RNA)
where:
Base-Base interactions energy: -499.352
where: short stacking energy: -254.689
Base-Backbone interact. energy: -1.178
local terms energy: -335.568937
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -92.218
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -37.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -842.692072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.692072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.692072 (E_RNA)
where:
Base-Base interactions energy: -509.195
where: short stacking energy: -257.465
Base-Backbone interact. energy: -1.722
local terms energy: -331.774586
where:
bonds (distance) C4'-P energy: -84.341
bonds (distance) P-C4' energy: -85.100
flat angles C4'-P-C4' energy: -74.018
flat angles P-C4'-P energy: -43.777
tors. eta vs tors. theta energy: -44.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -400.096992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.096992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.096992 (E_RNA)
where:
Base-Base interactions energy: -132.388
where: short stacking energy: -103.056
Base-Backbone interact. energy: 2.469
local terms energy: -270.178427
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -71.988
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: 12.191
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: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1760.584537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.584537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.584537 (E_RNA)
where:
Base-Base interactions energy: -1203.572
where: short stacking energy: -552.929
Base-Backbone interact. energy: -2.983
local terms energy: -554.028648
where:
bonds (distance) C4'-P energy: -99.267
bonds (distance) P-C4' energy: -90.216
flat angles C4'-P-C4' energy: -112.852
flat angles P-C4'-P energy: -73.726
tors. eta vs tors. theta energy: -177.967
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1635.727245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.727245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.727245 (E_RNA)
where:
Base-Base interactions energy: -1104.483
where: short stacking energy: -471.718
Base-Backbone interact. energy: -2.940
local terms energy: -528.304545
where:
bonds (distance) C4'-P energy: -101.702
bonds (distance) P-C4' energy: -101.494
flat angles C4'-P-C4' energy: -110.574
flat angles P-C4'-P energy: -72.572
tors. eta vs tors. theta energy: -141.963
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1600.012728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.012728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.012728 (E_RNA)
where:
Base-Base interactions energy: -1106.510
where: short stacking energy: -474.155
Base-Backbone interact. energy: -2.239
local terms energy: -491.263559
where:
bonds (distance) C4'-P energy: -94.847
bonds (distance) P-C4' energy: -88.664
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -65.128
tors. eta vs tors. theta energy: -138.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1531.904700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.904700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.904700 (E_RNA)
where:
Base-Base interactions energy: -1052.136
where: short stacking energy: -462.895
Base-Backbone interact. energy: -0.745
local terms energy: -479.023645
where:
bonds (distance) C4'-P energy: -82.399
bonds (distance) P-C4' energy: -94.539
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -73.088
tors. eta vs tors. theta energy: -128.877
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: 217
Temperature: 1.100000
Total energy: -1399.073480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.073480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.073480 (E_RNA)
where:
Base-Base interactions energy: -974.659
where: short stacking energy: -388.369
Base-Backbone interact. energy: -0.892
local terms energy: -423.522738
where:
bonds (distance) C4'-P energy: -81.016
bonds (distance) P-C4' energy: -79.604
flat angles C4'-P-C4' energy: -107.289
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: -98.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1269.929340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.929340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.929340 (E_RNA)
where:
Base-Base interactions energy: -863.292
where: short stacking energy: -364.356
Base-Backbone interact. energy: -0.741
local terms energy: -405.896363
where:
bonds (distance) C4'-P energy: -86.741
bonds (distance) P-C4' energy: -83.026
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -62.783
tors. eta vs tors. theta energy: -87.913
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: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1182.012939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.012939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.012939 (E_RNA)
where:
Base-Base interactions energy: -790.652
where: short stacking energy: -353.239
Base-Backbone interact. energy: -3.932
local terms energy: -387.429193
where:
bonds (distance) C4'-P energy: -84.591
bonds (distance) P-C4' energy: -86.646
flat angles C4'-P-C4' energy: -86.037
flat angles P-C4'-P energy: -63.962
tors. eta vs tors. theta energy: -66.193
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: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -875.349468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.349468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.349468 (E_RNA)
where:
Base-Base interactions energy: -539.311
where: short stacking energy: -260.838
Base-Backbone interact. energy: -1.883
local terms energy: -334.155701
where:
bonds (distance) C4'-P energy: -87.504
bonds (distance) P-C4' energy: -76.000
flat angles C4'-P-C4' energy: -71.245
flat angles P-C4'-P energy: -58.690
tors. eta vs tors. theta energy: -40.716
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: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -832.013103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.013103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.013103 (E_RNA)
where:
Base-Base interactions energy: -514.300
where: short stacking energy: -275.125
Base-Backbone interact. energy: -2.907
local terms energy: -314.805338
where:
bonds (distance) C4'-P energy: -85.763
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -41.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -394.522685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.522685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.522685 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -130.767
Base-Backbone interact. energy: 5.206
local terms energy: -242.437293
where:
bonds (distance) C4'-P energy: -72.306
bonds (distance) P-C4' energy: -72.957
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1763.828640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.828640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.828640 (E_RNA)
where:
Base-Base interactions energy: -1189.970
where: short stacking energy: -555.119
Base-Backbone interact. energy: -2.096
local terms energy: -571.762404
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -107.341
flat angles C4'-P-C4' energy: -112.075
flat angles P-C4'-P energy: -80.057
tors. eta vs tors. theta energy: -175.840
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1639.933768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.933768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.933768 (E_RNA)
where:
Base-Base interactions energy: -1132.653
where: short stacking energy: -469.613
Base-Backbone interact. energy: -2.171
local terms energy: -505.109562
where:
bonds (distance) C4'-P energy: -85.178
bonds (distance) P-C4' energy: -85.559
flat angles C4'-P-C4' energy: -111.128
flat angles P-C4'-P energy: -77.894
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: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1601.772268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.772268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.772268 (E_RNA)
where:
Base-Base interactions energy: -1100.692
where: short stacking energy: -464.052
Base-Backbone interact. energy: -1.912
local terms energy: -499.168152
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -92.899
flat angles C4'-P-C4' energy: -109.884
flat angles P-C4'-P energy: -80.230
tors. eta vs tors. theta energy: -123.719
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1523.616221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.616221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.616221 (E_RNA)
where:
Base-Base interactions energy: -1058.546
where: short stacking energy: -466.062
Base-Backbone interact. energy: -0.992
local terms energy: -464.078588
where:
bonds (distance) C4'-P energy: -77.290
bonds (distance) P-C4' energy: -88.882
flat angles C4'-P-C4' energy: -100.490
flat angles P-C4'-P energy: -65.582
tors. eta vs tors. theta energy: -131.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1417.401305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.401305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.401305 (E_RNA)
where:
Base-Base interactions energy: -964.299
where: short stacking energy: -405.286
Base-Backbone interact. energy: 1.565
local terms energy: -454.667486
where:
bonds (distance) C4'-P energy: -88.446
bonds (distance) P-C4' energy: -95.889
flat angles C4'-P-C4' energy: -94.233
flat angles P-C4'-P energy: -66.066
tors. eta vs tors. theta energy: -110.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1235.059170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.059170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.059170 (E_RNA)
where:
Base-Base interactions energy: -837.248
where: short stacking energy: -342.353
Base-Backbone interact. energy: -0.774
local terms energy: -397.036826
where:
bonds (distance) C4'-P energy: -84.928
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -67.099
tors. eta vs tors. theta energy: -72.085
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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1212.568399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.568399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.568399 (E_RNA)
where:
Base-Base interactions energy: -833.286
where: short stacking energy: -343.771
Base-Backbone interact. energy: 1.950
local terms energy: -381.232705
where:
bonds (distance) C4'-P energy: -81.496
bonds (distance) P-C4' energy: -76.284
flat angles C4'-P-C4' energy: -91.625
flat angles P-C4'-P energy: -45.447
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: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -892.099192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.099192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.099192 (E_RNA)
where:
Base-Base interactions energy: -538.288
where: short stacking energy: -244.053
Base-Backbone interact. energy: -0.239
local terms energy: -353.572732
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -87.906
flat angles C4'-P-C4' energy: -85.389
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -48.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -789.379408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.379408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.379408 (E_RNA)
where:
Base-Base interactions energy: -486.004
where: short stacking energy: -248.314
Base-Backbone interact. energy: 4.543
local terms energy: -307.918636
where:
bonds (distance) C4'-P energy: -79.969
bonds (distance) P-C4' energy: -66.374
flat angles C4'-P-C4' energy: -85.067
flat angles P-C4'-P energy: -53.198
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -381.916352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.916352 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -100.346
Base-Backbone interact. energy: 1.380
local terms energy: -249.707411
where:
bonds (distance) C4'-P energy: -77.120
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -68.531
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: 13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1767.731438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.731438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.731438 (E_RNA)
where:
Base-Base interactions energy: -1211.536
where: short stacking energy: -561.952
Base-Backbone interact. energy: -2.623
local terms energy: -553.572176
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -99.300
flat angles C4'-P-C4' energy: -110.877
flat angles P-C4'-P energy: -77.786
tors. eta vs tors. theta energy: -173.453
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1657.604776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.604776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.604776 (E_RNA)
where:
Base-Base interactions energy: -1125.673
where: short stacking energy: -478.498
Base-Backbone interact. energy: -1.998
local terms energy: -529.933759
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -95.091
flat angles C4'-P-C4' energy: -111.159
flat angles P-C4'-P energy: -74.565
tors. eta vs tors. theta energy: -150.930
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: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1605.982018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.982018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.982018 (E_RNA)
where:
Base-Base interactions energy: -1095.238
where: short stacking energy: -461.300
Base-Backbone interact. energy: -0.295
local terms energy: -510.449365
where:
bonds (distance) C4'-P energy: -98.964
bonds (distance) P-C4' energy: -107.963
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -138.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1535.875116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.875116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.875116 (E_RNA)
where:
Base-Base interactions energy: -1047.476
where: short stacking energy: -445.998
Base-Backbone interact. energy: -1.372
local terms energy: -487.026624
where:
bonds (distance) C4'-P energy: -88.476
bonds (distance) P-C4' energy: -92.937
flat angles C4'-P-C4' energy: -98.990
flat angles P-C4'-P energy: -75.028
tors. eta vs tors. theta energy: -131.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1447.179977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.179977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.179977 (E_RNA)
where:
Base-Base interactions energy: -988.542
where: short stacking energy: -394.032
Base-Backbone interact. energy: 3.521
local terms energy: -462.158473
where:
bonds (distance) C4'-P energy: -85.151
bonds (distance) P-C4' energy: -94.841
flat angles C4'-P-C4' energy: -96.081
flat angles P-C4'-P energy: -75.369
tors. eta vs tors. theta energy: -110.716
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: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1323.765303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.765303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.765303 (E_RNA)
where:
Base-Base interactions energy: -891.754
where: short stacking energy: -372.122
Base-Backbone interact. energy: 0.076
local terms energy: -432.086997
where:
bonds (distance) C4'-P energy: -89.700
bonds (distance) P-C4' energy: -92.518
flat angles C4'-P-C4' energy: -86.983
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: -99.730
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1165.013422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.013422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.013422 (E_RNA)
where:
Base-Base interactions energy: -782.401
where: short stacking energy: -330.832
Base-Backbone interact. energy: -0.598
local terms energy: -382.013907
where:
bonds (distance) C4'-P energy: -87.559
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -79.316
flat angles P-C4'-P energy: -52.956
tors. eta vs tors. theta energy: -70.879
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: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -887.147301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.147301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.147301 (E_RNA)
where:
Base-Base interactions energy: -529.383
where: short stacking energy: -262.313
Base-Backbone interact. energy: -0.893
local terms energy: -356.872005
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -88.244
flat angles C4'-P-C4' energy: -80.131
flat angles P-C4'-P energy: -54.926
tors. eta vs tors. theta energy: -41.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -752.996572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.996572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.996572 (E_RNA)
where:
Base-Base interactions energy: -470.601
where: short stacking energy: -246.234
Base-Backbone interact. energy: -1.747
local terms energy: -280.648103
where:
bonds (distance) C4'-P energy: -65.796
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -63.337
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -451.687602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.687602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.687602 (E_RNA)
where:
Base-Base interactions energy: -207.391
where: short stacking energy: -138.474
Base-Backbone interact. energy: -1.110
local terms energy: -243.186363
where:
bonds (distance) C4'-P energy: -69.044
bonds (distance) P-C4' energy: -74.188
flat angles C4'-P-C4' energy: -57.696
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1787.845381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.845381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.845381 (E_RNA)
where:
Base-Base interactions energy: -1226.477
where: short stacking energy: -529.099
Base-Backbone interact. energy: -2.236
local terms energy: -559.132854
where:
bonds (distance) C4'-P energy: -100.252
bonds (distance) P-C4' energy: -101.863
flat angles C4'-P-C4' energy: -114.007
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -172.449
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1642.937135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.937135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.937135 (E_RNA)
where:
Base-Base interactions energy: -1135.510
where: short stacking energy: -486.451
Base-Backbone interact. energy: -1.780
local terms energy: -505.647213
where:
bonds (distance) C4'-P energy: -97.635
bonds (distance) P-C4' energy: -87.661
flat angles C4'-P-C4' energy: -103.726
flat angles P-C4'-P energy: -78.456
tors. eta vs tors. theta energy: -138.169
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: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1585.130447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.130447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.130447 (E_RNA)
where:
Base-Base interactions energy: -1090.101
where: short stacking energy: -470.946
Base-Backbone interact. energy: -3.839
local terms energy: -491.190435
where:
bonds (distance) C4'-P energy: -103.451
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -109.821
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -126.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1544.080028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.080028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.080028 (E_RNA)
where:
Base-Base interactions energy: -1053.770
where: short stacking energy: -450.420
Base-Backbone interact. energy: -1.648
local terms energy: -488.661763
where:
bonds (distance) C4'-P energy: -89.231
bonds (distance) P-C4' energy: -94.149
flat angles C4'-P-C4' energy: -111.411
flat angles P-C4'-P energy: -58.190
tors. eta vs tors. theta energy: -135.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1468.685598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.685598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.685598 (E_RNA)
where:
Base-Base interactions energy: -1038.217
where: short stacking energy: -427.095
Base-Backbone interact. energy: -0.280
local terms energy: -430.188279
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -95.333
flat angles P-C4'-P energy: -60.412
tors. eta vs tors. theta energy: -107.444
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: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1334.287779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.287779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.287779 (E_RNA)
where:
Base-Base interactions energy: -912.238
where: short stacking energy: -416.463
Base-Backbone interact. energy: 0.519
local terms energy: -422.568890
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -91.277
flat angles C4'-P-C4' energy: -94.772
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -113.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1176.854417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.854417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.854417 (E_RNA)
where:
Base-Base interactions energy: -781.866
where: short stacking energy: -339.292
Base-Backbone interact. energy: -1.390
local terms energy: -393.597569
where:
bonds (distance) C4'-P energy: -87.684
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -82.219
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -69.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -891.086120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.086120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.086120 (E_RNA)
where:
Base-Base interactions energy: -543.847
where: short stacking energy: -243.836
Base-Backbone interact. energy: 0.670
local terms energy: -347.909351
where:
bonds (distance) C4'-P energy: -77.581
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -74.615
flat angles P-C4'-P energy: -49.685
tors. eta vs tors. theta energy: -46.209
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: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -757.446540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.446540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.446540 (E_RNA)
where:
Base-Base interactions energy: -427.345
where: short stacking energy: -222.245
Base-Backbone interact. energy: -0.187
local terms energy: -329.915219
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -71.011
flat angles P-C4'-P energy: -47.252
tors. eta vs tors. theta energy: -26.106
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: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -478.273519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.273519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.273519 (E_RNA)
where:
Base-Base interactions energy: -231.624
where: short stacking energy: -144.819
Base-Backbone interact. energy: 3.433
local terms energy: -250.082720
where:
bonds (distance) C4'-P energy: -79.204
bonds (distance) P-C4' energy: -79.789
flat angles C4'-P-C4' energy: -69.413
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: 9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1787.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.678691 (E_RNA)
where:
Base-Base interactions energy: -1216.990
where: short stacking energy: -547.556
Base-Backbone interact. energy: -2.004
local terms energy: -568.684879
where:
bonds (distance) C4'-P energy: -100.851
bonds (distance) P-C4' energy: -95.571
flat angles C4'-P-C4' energy: -112.236
flat angles P-C4'-P energy: -82.065
tors. eta vs tors. theta energy: -177.961
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: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1642.567982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.567982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.567982 (E_RNA)
where:
Base-Base interactions energy: -1140.058
where: short stacking energy: -479.559
Base-Backbone interact. energy: -1.299
local terms energy: -501.211320
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -112.269
flat angles P-C4'-P energy: -68.559
tors. eta vs tors. theta energy: -126.556
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: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1596.729751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.729751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.729751 (E_RNA)
where:
Base-Base interactions energy: -1084.719
where: short stacking energy: -465.078
Base-Backbone interact. energy: -1.727
local terms energy: -510.283291
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -97.986
flat angles C4'-P-C4' energy: -105.332
flat angles P-C4'-P energy: -72.963
tors. eta vs tors. theta energy: -134.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1528.721997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.721997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.721997 (E_RNA)
where:
Base-Base interactions energy: -1055.474
where: short stacking energy: -459.941
Base-Backbone interact. energy: -1.038
local terms energy: -472.210083
where:
bonds (distance) C4'-P energy: -87.695
bonds (distance) P-C4' energy: -86.109
flat angles C4'-P-C4' energy: -105.730
flat angles P-C4'-P energy: -72.037
tors. eta vs tors. theta energy: -120.640
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: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1444.210023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.210023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.210023 (E_RNA)
where:
Base-Base interactions energy: -1007.793
where: short stacking energy: -425.053
Base-Backbone interact. energy: 1.857
local terms energy: -438.274058
where:
bonds (distance) C4'-P energy: -72.085
bonds (distance) P-C4' energy: -87.667
flat angles C4'-P-C4' energy: -106.262
flat angles P-C4'-P energy: -69.956
tors. eta vs tors. theta energy: -102.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1333.602249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.602249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.602249 (E_RNA)
where:
Base-Base interactions energy: -900.994
where: short stacking energy: -399.121
Base-Backbone interact. energy: -0.190
local terms energy: -432.418203
where:
bonds (distance) C4'-P energy: -86.963
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -89.228
flat angles P-C4'-P energy: -62.780
tors. eta vs tors. theta energy: -104.982
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: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1263.542843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.542843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.542843 (E_RNA)
where:
Base-Base interactions energy: -895.254
where: short stacking energy: -371.639
Base-Backbone interact. energy: -3.496
local terms energy: -364.793407
where:
bonds (distance) C4'-P energy: -54.856
bonds (distance) P-C4' energy: -85.568
flat angles C4'-P-C4' energy: -95.116
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -82.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -859.943363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.943363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.943363 (E_RNA)
where:
Base-Base interactions energy: -511.710
where: short stacking energy: -243.391
Base-Backbone interact. energy: -1.059
local terms energy: -347.174224
where:
bonds (distance) C4'-P energy: -75.135
bonds (distance) P-C4' energy: -84.865
flat angles C4'-P-C4' energy: -89.003
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -749.239393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.239393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.239393 (E_RNA)
where:
Base-Base interactions energy: -434.627
where: short stacking energy: -219.576
Base-Backbone interact. energy: -0.385
local terms energy: -314.227839
where:
bonds (distance) C4'-P energy: -74.893
bonds (distance) P-C4' energy: -89.325
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -21.679
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: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -484.433447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.433447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.433447 (E_RNA)
where:
Base-Base interactions energy: -207.994
where: short stacking energy: -137.971
Base-Backbone interact. energy: -4.009
local terms energy: -272.429723
where:
bonds (distance) C4'-P energy: -72.050
bonds (distance) P-C4' energy: -91.374
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1788.409590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.409590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.409590 (E_RNA)
where:
Base-Base interactions energy: -1214.571
where: short stacking energy: -540.704
Base-Backbone interact. energy: -0.854
local terms energy: -572.984114
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -104.450
flat angles C4'-P-C4' energy: -113.838
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -178.938
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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1655.340392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.340392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.340392 (E_RNA)
where:
Base-Base interactions energy: -1134.926
where: short stacking energy: -491.415
Base-Backbone interact. energy: 0.051
local terms energy: -520.465857
where:
bonds (distance) C4'-P energy: -98.955
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -104.585
flat angles P-C4'-P energy: -78.174
tors. eta vs tors. theta energy: -146.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1603.396413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.396413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.396413 (E_RNA)
where:
Base-Base interactions energy: -1119.703
where: short stacking energy: -474.472
Base-Backbone interact. energy: -2.629
local terms energy: -481.063726
where:
bonds (distance) C4'-P energy: -95.286
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -99.586
flat angles P-C4'-P energy: -62.439
tors. eta vs tors. theta energy: -130.997
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1527.916499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.916499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.916499 (E_RNA)
where:
Base-Base interactions energy: -1041.572
where: short stacking energy: -440.155
Base-Backbone interact. energy: -2.176
local terms energy: -484.168506
where:
bonds (distance) C4'-P energy: -93.287
bonds (distance) P-C4' energy: -87.619
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -60.931
tors. eta vs tors. theta energy: -124.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1459.387131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.387131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.387131 (E_RNA)
where:
Base-Base interactions energy: -1002.202
where: short stacking energy: -415.451
Base-Backbone interact. energy: -2.386
local terms energy: -454.798971
where:
bonds (distance) C4'-P energy: -86.367
bonds (distance) P-C4' energy: -90.240
flat angles C4'-P-C4' energy: -108.097
flat angles P-C4'-P energy: -56.661
tors. eta vs tors. theta energy: -113.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1320.708036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.708036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.708036 (E_RNA)
where:
Base-Base interactions energy: -918.066
where: short stacking energy: -411.579
Base-Backbone interact. energy: 7.763
local terms energy: -410.404603
where:
bonds (distance) C4'-P energy: -74.749
bonds (distance) P-C4' energy: -85.670
flat angles C4'-P-C4' energy: -97.396
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -100.997
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1159.084834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.084834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.084834 (E_RNA)
where:
Base-Base interactions energy: -762.416
where: short stacking energy: -335.346
Base-Backbone interact. energy: -2.554
local terms energy: -394.114935
where:
bonds (distance) C4'-P energy: -84.548
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -102.706
flat angles P-C4'-P energy: -55.255
tors. eta vs tors. theta energy: -79.139
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: 222
Temperature: 1.250000
Total energy: -840.983591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.983591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.983591 (E_RNA)
where:
Base-Base interactions energy: -494.684
where: short stacking energy: -258.226
Base-Backbone interact. energy: 0.153
local terms energy: -346.451779
where:
bonds (distance) C4'-P energy: -91.752
bonds (distance) P-C4' energy: -83.018
flat angles C4'-P-C4' energy: -96.461
flat angles P-C4'-P energy: -31.640
tors. eta vs tors. theta energy: -43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -759.082964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.082964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.082964 (E_RNA)
where:
Base-Base interactions energy: -442.156
where: short stacking energy: -206.677
Base-Backbone interact. energy: 0.085
local terms energy: -317.011119
where:
bonds (distance) C4'-P energy: -79.482
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -75.890
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -15.287
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: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -465.040338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.040338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.040338 (E_RNA)
where:
Base-Base interactions energy: -194.635
where: short stacking energy: -128.309
Base-Backbone interact. energy: -0.684
local terms energy: -269.721411
where:
bonds (distance) C4'-P energy: -76.403
bonds (distance) P-C4' energy: -85.089
flat angles C4'-P-C4' energy: -67.370
flat angles P-C4'-P energy: -50.210
tors. eta vs tors. theta energy: 9.351
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1788.741879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.741879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.741879 (E_RNA)
where:
Base-Base interactions energy: -1252.089
where: short stacking energy: -554.260
Base-Backbone interact. energy: -3.523
local terms energy: -533.129755
where:
bonds (distance) C4'-P energy: -81.567
bonds (distance) P-C4' energy: -91.288
flat angles C4'-P-C4' energy: -108.094
flat angles P-C4'-P energy: -78.344
tors. eta vs tors. theta energy: -173.837
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: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1651.704538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.704538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.704538 (E_RNA)
where:
Base-Base interactions energy: -1149.868
where: short stacking energy: -511.039
Base-Backbone interact. energy: -0.905
local terms energy: -500.930739
where:
bonds (distance) C4'-P energy: -96.491
bonds (distance) P-C4' energy: -75.988
flat angles C4'-P-C4' energy: -101.181
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -147.130
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: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1595.181594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.181594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.181594 (E_RNA)
where:
Base-Base interactions energy: -1117.765
where: short stacking energy: -473.438
Base-Backbone interact. energy: 0.142
local terms energy: -477.558188
where:
bonds (distance) C4'-P energy: -93.503
bonds (distance) P-C4' energy: -96.683
flat angles C4'-P-C4' energy: -96.488
flat angles P-C4'-P energy: -56.802
tors. eta vs tors. theta energy: -134.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1552.701845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.701845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.701845 (E_RNA)
where:
Base-Base interactions energy: -1077.069
where: short stacking energy: -455.594
Base-Backbone interact. energy: 1.255
local terms energy: -476.887911
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -87.853
flat angles C4'-P-C4' energy: -105.237
flat angles P-C4'-P energy: -79.923
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1427.087236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.087236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.087236 (E_RNA)
where:
Base-Base interactions energy: -972.603
where: short stacking energy: -397.677
Base-Backbone interact. energy: -1.211
local terms energy: -453.272746
where:
bonds (distance) C4'-P energy: -81.251
bonds (distance) P-C4' energy: -99.314
flat angles C4'-P-C4' energy: -100.839
flat angles P-C4'-P energy: -70.763
tors. eta vs tors. theta energy: -101.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1336.782471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.782471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.782471 (E_RNA)
where:
Base-Base interactions energy: -888.707
where: short stacking energy: -397.006
Base-Backbone interact. energy: -0.282
local terms energy: -447.793699
where:
bonds (distance) C4'-P energy: -81.077
bonds (distance) P-C4' energy: -86.279
flat angles C4'-P-C4' energy: -93.349
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -109.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1213.313913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.313913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.313913 (E_RNA)
where:
Base-Base interactions energy: -802.308
where: short stacking energy: -334.099
Base-Backbone interact. energy: 1.553
local terms energy: -412.559032
where:
bonds (distance) C4'-P energy: -68.318
bonds (distance) P-C4' energy: -89.174
flat angles C4'-P-C4' energy: -90.198
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -88.813
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: 223
Temperature: 1.250000
Total energy: -809.200367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.200367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.200367 (E_RNA)
where:
Base-Base interactions energy: -486.726
where: short stacking energy: -237.413
Base-Backbone interact. energy: 4.349
local terms energy: -326.823483
where:
bonds (distance) C4'-P energy: -74.102
bonds (distance) P-C4' energy: -91.488
flat angles C4'-P-C4' energy: -83.391
flat angles P-C4'-P energy: -46.673
tors. eta vs tors. theta energy: -31.170
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: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -694.069871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.069871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.069871 (E_RNA)
where:
Base-Base interactions energy: -380.215
where: short stacking energy: -212.227
Base-Backbone interact. energy: -0.640
local terms energy: -313.215539
where:
bonds (distance) C4'-P energy: -77.129
bonds (distance) P-C4' energy: -89.779
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -499.576367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.576367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.576367 (E_RNA)
where:
Base-Base interactions energy: -250.334
where: short stacking energy: -148.071
Base-Backbone interact. energy: 1.665
local terms energy: -250.907091
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -86.483
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1783.407460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.407460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.407460 (E_RNA)
where:
Base-Base interactions energy: -1216.891
where: short stacking energy: -532.286
Base-Backbone interact. energy: -2.318
local terms energy: -564.198319
where:
bonds (distance) C4'-P energy: -101.950
bonds (distance) P-C4' energy: -99.659
flat angles C4'-P-C4' energy: -112.223
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -172.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1667.239754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.239754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.239754 (E_RNA)
where:
Base-Base interactions energy: -1149.692
where: short stacking energy: -501.982
Base-Backbone interact. energy: 1.473
local terms energy: -519.020358
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -105.659
flat angles C4'-P-C4' energy: -100.226
flat angles P-C4'-P energy: -70.674
tors. eta vs tors. theta energy: -144.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1595.005084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.005084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.005084 (E_RNA)
where:
Base-Base interactions energy: -1101.895
where: short stacking energy: -465.773
Base-Backbone interact. energy: 0.646
local terms energy: -493.756219
where:
bonds (distance) C4'-P energy: -77.923
bonds (distance) P-C4' energy: -101.710
flat angles C4'-P-C4' energy: -107.547
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: -137.919
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1535.250520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.250520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.250520 (E_RNA)
where:
Base-Base interactions energy: -1044.157
where: short stacking energy: -435.621
Base-Backbone interact. energy: -1.421
local terms energy: -489.672641
where:
bonds (distance) C4'-P energy: -101.097
bonds (distance) P-C4' energy: -88.626
flat angles C4'-P-C4' energy: -105.447
flat angles P-C4'-P energy: -73.155
tors. eta vs tors. theta energy: -121.348
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: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1381.906081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.906081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.906081 (E_RNA)
where:
Base-Base interactions energy: -931.933
where: short stacking energy: -395.691
Base-Backbone interact. energy: 0.063
local terms energy: -450.036711
where:
bonds (distance) C4'-P energy: -86.246
bonds (distance) P-C4' energy: -88.080
flat angles C4'-P-C4' energy: -100.990
flat angles P-C4'-P energy: -66.111
tors. eta vs tors. theta energy: -108.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1353.946642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.946642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.946642 (E_RNA)
where:
Base-Base interactions energy: -957.524
where: short stacking energy: -394.278
Base-Backbone interact. energy: -3.587
local terms energy: -392.835272
where:
bonds (distance) C4'-P energy: -71.342
bonds (distance) P-C4' energy: -84.383
flat angles C4'-P-C4' energy: -94.557
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -93.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1228.716702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.716702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.716702 (E_RNA)
where:
Base-Base interactions energy: -850.888
where: short stacking energy: -355.164
Base-Backbone interact. energy: -0.010
local terms energy: -377.818563
where:
bonds (distance) C4'-P energy: -69.255
bonds (distance) P-C4' energy: -88.100
flat angles C4'-P-C4' energy: -92.909
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -83.552
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: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -824.772572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.772572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.772572 (E_RNA)
where:
Base-Base interactions energy: -499.642
where: short stacking energy: -228.113
Base-Backbone interact. energy: -1.277
local terms energy: -323.852786
where:
bonds (distance) C4'-P energy: -79.687
bonds (distance) P-C4' energy: -81.233
flat angles C4'-P-C4' energy: -86.469
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -37.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -677.972398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.972398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.972398 (E_RNA)
where:
Base-Base interactions energy: -349.709
where: short stacking energy: -163.310
Base-Backbone interact. energy: 2.727
local terms energy: -330.990353
where:
bonds (distance) C4'-P energy: -72.499
bonds (distance) P-C4' energy: -89.809
flat angles C4'-P-C4' energy: -78.073
flat angles P-C4'-P energy: -70.691
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -424.868267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.868267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.868267 (E_RNA)
where:
Base-Base interactions energy: -194.169
where: short stacking energy: -129.478
Base-Backbone interact. energy: -1.042
local terms energy: -229.656777
where:
bonds (distance) C4'-P energy: -62.525
bonds (distance) P-C4' energy: -78.819
flat angles C4'-P-C4' energy: -73.512
flat angles P-C4'-P energy: -36.215
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1769.032759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.032759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.032759 (E_RNA)
where:
Base-Base interactions energy: -1220.582
where: short stacking energy: -547.610
Base-Backbone interact. energy: -1.774
local terms energy: -546.676264
where:
bonds (distance) C4'-P energy: -90.700
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -79.824
tors. eta vs tors. theta energy: -172.664
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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1671.914177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.914177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.914177 (E_RNA)
where:
Base-Base interactions energy: -1151.492
where: short stacking energy: -480.888
Base-Backbone interact. energy: -1.134
local terms energy: -519.288470
where:
bonds (distance) C4'-P energy: -103.219
bonds (distance) P-C4' energy: -87.166
flat angles C4'-P-C4' energy: -105.361
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -146.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1592.259052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.259052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.259052 (E_RNA)
where:
Base-Base interactions energy: -1098.751
where: short stacking energy: -449.619
Base-Backbone interact. energy: 0.661
local terms energy: -494.168819
where:
bonds (distance) C4'-P energy: -80.689
bonds (distance) P-C4' energy: -110.010
flat angles C4'-P-C4' energy: -111.719
flat angles P-C4'-P energy: -67.859
tors. eta vs tors. theta energy: -123.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1521.159215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.159215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.159215 (E_RNA)
where:
Base-Base interactions energy: -1037.086
where: short stacking energy: -449.150
Base-Backbone interact. energy: -2.268
local terms energy: -481.806147
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -124.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1399.402305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.402305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.402305 (E_RNA)
where:
Base-Base interactions energy: -968.093
where: short stacking energy: -420.953
Base-Backbone interact. energy: -0.751
local terms energy: -430.557779
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -99.884
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -105.730
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: 225
Temperature: 1.150000
Total energy: -1354.413523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.413523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.413523 (E_RNA)
where:
Base-Base interactions energy: -944.975
where: short stacking energy: -376.660
Base-Backbone interact. energy: 2.651
local terms energy: -412.088712
where:
bonds (distance) C4'-P energy: -92.288
bonds (distance) P-C4' energy: -73.568
flat angles C4'-P-C4' energy: -104.354
flat angles P-C4'-P energy: -52.043
tors. eta vs tors. theta energy: -89.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1308.007953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.007953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.007953 (E_RNA)
where:
Base-Base interactions energy: -907.877
where: short stacking energy: -390.339
Base-Backbone interact. energy: -1.369
local terms energy: -398.761963
where:
bonds (distance) C4'-P energy: -81.067
bonds (distance) P-C4' energy: -87.883
flat angles C4'-P-C4' energy: -87.178
flat angles P-C4'-P energy: -48.727
tors. eta vs tors. theta energy: -93.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -905.568190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.568190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.568190 (E_RNA)
where:
Base-Base interactions energy: -548.583
where: short stacking energy: -245.760
Base-Backbone interact. energy: -2.056
local terms energy: -354.928802
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -80.090
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -49.841
tors. eta vs tors. theta energy: -33.979
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: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -665.233588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.233588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.233588 (E_RNA)
where:
Base-Base interactions energy: -366.843
where: short stacking energy: -196.743
Base-Backbone interact. energy: -2.302
local terms energy: -296.088828
where:
bonds (distance) C4'-P energy: -78.516
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -69.711
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -439.588129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.588129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.588129 (E_RNA)
where:
Base-Base interactions energy: -176.733
where: short stacking energy: -112.010
Base-Backbone interact. energy: -1.673
local terms energy: -261.181310
where:
bonds (distance) C4'-P energy: -88.266
bonds (distance) P-C4' energy: -88.753
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -49.112
tors. eta vs tors. theta energy: 15.513
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1777.437600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.437600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.437600 (E_RNA)
where:
Base-Base interactions energy: -1219.634
where: short stacking energy: -553.467
Base-Backbone interact. energy: -1.992
local terms energy: -555.811192
where:
bonds (distance) C4'-P energy: -95.211
bonds (distance) P-C4' energy: -99.534
flat angles C4'-P-C4' energy: -112.176
flat angles P-C4'-P energy: -72.394
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1666.295780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.295780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.295780 (E_RNA)
where:
Base-Base interactions energy: -1158.027
where: short stacking energy: -515.377
Base-Backbone interact. energy: -2.497
local terms energy: -505.771535
where:
bonds (distance) C4'-P energy: -95.438
bonds (distance) P-C4' energy: -82.587
flat angles C4'-P-C4' energy: -113.626
flat angles P-C4'-P energy: -71.594
tors. eta vs tors. theta energy: -142.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1584.901363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.901363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.901363 (E_RNA)
where:
Base-Base interactions energy: -1114.369
where: short stacking energy: -465.308
Base-Backbone interact. energy: -0.493
local terms energy: -470.040067
where:
bonds (distance) C4'-P energy: -80.863
bonds (distance) P-C4' energy: -97.339
flat angles C4'-P-C4' energy: -106.560
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -128.357
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: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1525.871909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.871909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.871909 (E_RNA)
where:
Base-Base interactions energy: -1049.315
where: short stacking energy: -460.609
Base-Backbone interact. energy: -1.188
local terms energy: -475.369005
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -86.052
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -134.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1447.925916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.925916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.925916 (E_RNA)
where:
Base-Base interactions energy: -966.450
where: short stacking energy: -435.282
Base-Backbone interact. energy: 0.641
local terms energy: -482.117300
where:
bonds (distance) C4'-P energy: -98.184
bonds (distance) P-C4' energy: -99.234
flat angles C4'-P-C4' energy: -106.417
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -121.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1409.316880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.316880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.316880 (E_RNA)
where:
Base-Base interactions energy: -979.927
where: short stacking energy: -400.172
Base-Backbone interact. energy: 1.741
local terms energy: -431.131005
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -91.782
flat angles C4'-P-C4' energy: -94.598
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -113.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1344.983198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.983198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.983198 (E_RNA)
where:
Base-Base interactions energy: -922.434
where: short stacking energy: -376.890
Base-Backbone interact. energy: -2.931
local terms energy: -419.618846
where:
bonds (distance) C4'-P energy: -67.273
bonds (distance) P-C4' energy: -85.340
flat angles C4'-P-C4' energy: -98.930
flat angles P-C4'-P energy: -64.686
tors. eta vs tors. theta energy: -103.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -910.565517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.565517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.565517 (E_RNA)
where:
Base-Base interactions energy: -557.614
where: short stacking energy: -273.893
Base-Backbone interact. energy: -0.985
local terms energy: -351.966426
where:
bonds (distance) C4'-P energy: -90.587
bonds (distance) P-C4' energy: -71.934
flat angles C4'-P-C4' energy: -89.548
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: -48.198
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: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -669.218046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.218046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.218046 (E_RNA)
where:
Base-Base interactions energy: -379.506
where: short stacking energy: -206.227
Base-Backbone interact. energy: -1.935
local terms energy: -287.776926
where:
bonds (distance) C4'-P energy: -86.344
bonds (distance) P-C4' energy: -90.649
flat angles C4'-P-C4' energy: -73.928
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -386.320984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.320984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.320984 (E_RNA)
where:
Base-Base interactions energy: -145.325
where: short stacking energy: -116.155
Base-Backbone interact. energy: 2.573
local terms energy: -243.568415
where:
bonds (distance) C4'-P energy: -86.596
bonds (distance) P-C4' energy: -74.721
flat angles C4'-P-C4' energy: -70.420
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: 23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1776.924139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.924139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.924139 (E_RNA)
where:
Base-Base interactions energy: -1195.588
where: short stacking energy: -515.250
Base-Backbone interact. energy: 0.410
local terms energy: -581.746357
where:
bonds (distance) C4'-P energy: -103.683
bonds (distance) P-C4' energy: -91.905
flat angles C4'-P-C4' energy: -121.831
flat angles P-C4'-P energy: -88.453
tors. eta vs tors. theta energy: -175.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1672.087707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.087707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.087707 (E_RNA)
where:
Base-Base interactions energy: -1160.291
where: short stacking energy: -516.242
Base-Backbone interact. energy: -2.242
local terms energy: -509.555187
where:
bonds (distance) C4'-P energy: -96.188
bonds (distance) P-C4' energy: -90.931
flat angles C4'-P-C4' energy: -108.349
flat angles P-C4'-P energy: -72.798
tors. eta vs tors. theta energy: -141.288
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1583.584320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.584320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.584320 (E_RNA)
where:
Base-Base interactions energy: -1110.293
where: short stacking energy: -444.204
Base-Backbone interact. energy: -4.502
local terms energy: -468.788735
where:
bonds (distance) C4'-P energy: -100.536
bonds (distance) P-C4' energy: -86.561
flat angles C4'-P-C4' energy: -102.079
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -125.103
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: 227
Temperature: 1.050000
Total energy: -1506.277814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.277814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.277814 (E_RNA)
where:
Base-Base interactions energy: -1035.350
where: short stacking energy: -460.443
Base-Backbone interact. energy: -1.026
local terms energy: -469.901774
where:
bonds (distance) C4'-P energy: -74.947
bonds (distance) P-C4' energy: -92.515
flat angles C4'-P-C4' energy: -111.513
flat angles P-C4'-P energy: -59.933
tors. eta vs tors. theta energy: -130.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1395.202345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.202345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.202345 (E_RNA)
where:
Base-Base interactions energy: -926.015
where: short stacking energy: -405.009
Base-Backbone interact. energy: -1.458
local terms energy: -467.729728
where:
bonds (distance) C4'-P energy: -93.315
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -103.032
flat angles P-C4'-P energy: -59.701
tors. eta vs tors. theta energy: -114.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1425.661122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.661122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.661122 (E_RNA)
where:
Base-Base interactions energy: -996.090
where: short stacking energy: -388.579
Base-Backbone interact. energy: -3.091
local terms energy: -426.480036
where:
bonds (distance) C4'-P energy: -88.769
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -94.217
flat angles P-C4'-P energy: -52.355
tors. eta vs tors. theta energy: -98.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1326.306410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.306410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.306410 (E_RNA)
where:
Base-Base interactions energy: -892.362
where: short stacking energy: -387.794
Base-Backbone interact. energy: -0.303
local terms energy: -433.642002
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -91.040
flat angles C4'-P-C4' energy: -93.527
flat angles P-C4'-P energy: -66.762
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: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -911.244926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.244926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.244926 (E_RNA)
where:
Base-Base interactions energy: -549.991
where: short stacking energy: -256.755
Base-Backbone interact. energy: -0.845
local terms energy: -360.408739
where:
bonds (distance) C4'-P energy: -92.264
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -61.595
tors. eta vs tors. theta energy: -38.941
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: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -635.772981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.772981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.772981 (E_RNA)
where:
Base-Base interactions energy: -343.860
where: short stacking energy: -203.356
Base-Backbone interact. energy: 1.271
local terms energy: -293.183775
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -86.613
flat angles C4'-P-C4' energy: -74.021
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -378.893433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.893433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.893433 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -106.824
Base-Backbone interact. energy: 1.308
local terms energy: -244.566510
where:
bonds (distance) C4'-P energy: -94.640
bonds (distance) P-C4' energy: -82.797
flat angles C4'-P-C4' energy: -64.644
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: 33.246
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: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1799.841343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.841343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.841343 (E_RNA)
where:
Base-Base interactions energy: -1241.791
where: short stacking energy: -555.257
Base-Backbone interact. energy: -1.243
local terms energy: -556.807132
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -98.053
flat angles C4'-P-C4' energy: -110.247
flat angles P-C4'-P energy: -85.713
tors. eta vs tors. theta energy: -172.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1675.328940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.328940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.328940 (E_RNA)
where:
Base-Base interactions energy: -1144.507
where: short stacking energy: -509.706
Base-Backbone interact. energy: -2.016
local terms energy: -528.805740
where:
bonds (distance) C4'-P energy: -103.324
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -111.447
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: -151.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1593.857173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.857173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.857173 (E_RNA)
where:
Base-Base interactions energy: -1123.861
where: short stacking energy: -462.154
Base-Backbone interact. energy: 0.472
local terms energy: -470.468457
where:
bonds (distance) C4'-P energy: -77.690
bonds (distance) P-C4' energy: -90.512
flat angles C4'-P-C4' energy: -99.936
flat angles P-C4'-P energy: -71.945
tors. eta vs tors. theta energy: -130.385
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1452.023588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.023588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.023588 (E_RNA)
where:
Base-Base interactions energy: -1005.439
where: short stacking energy: -429.053
Base-Backbone interact. energy: -0.361
local terms energy: -446.223414
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -82.638
flat angles C4'-P-C4' energy: -96.281
flat angles P-C4'-P energy: -63.713
tors. eta vs tors. theta energy: -113.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1443.894025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.894025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.894025 (E_RNA)
where:
Base-Base interactions energy: -1017.130
where: short stacking energy: -422.808
Base-Backbone interact. energy: 4.866
local terms energy: -431.630241
where:
bonds (distance) C4'-P energy: -68.954
bonds (distance) P-C4' energy: -89.624
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -58.177
tors. eta vs tors. theta energy: -114.831
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1354.115422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.115422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.115422 (E_RNA)
where:
Base-Base interactions energy: -907.523
where: short stacking energy: -410.222
Base-Backbone interact. energy: 1.315
local terms energy: -447.907505
where:
bonds (distance) C4'-P energy: -79.264
bonds (distance) P-C4' energy: -87.622
flat angles C4'-P-C4' energy: -104.800
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -114.808
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: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1255.737319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.737319 (E_RNA)
where:
Base-Base interactions energy: -854.073
where: short stacking energy: -372.570
Base-Backbone interact. energy: -1.252
local terms energy: -400.412578
where:
bonds (distance) C4'-P energy: -75.663
bonds (distance) P-C4' energy: -73.214
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -63.396
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -935.373829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.373829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.373829 (E_RNA)
where:
Base-Base interactions energy: -578.537
where: short stacking energy: -281.222
Base-Backbone interact. energy: -0.549
local terms energy: -356.288114
where:
bonds (distance) C4'-P energy: -83.348
bonds (distance) P-C4' energy: -73.210
flat angles C4'-P-C4' energy: -98.071
flat angles P-C4'-P energy: -53.382
tors. eta vs tors. theta energy: -48.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -640.631589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.631589 (E_RNA)
where:
Base-Base interactions energy: -327.931
where: short stacking energy: -196.765
Base-Backbone interact. energy: 4.304
local terms energy: -317.004276
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -94.453
flat angles C4'-P-C4' energy: -70.878
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -380.757433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.757433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.757433 (E_RNA)
where:
Base-Base interactions energy: -115.899
where: short stacking energy: -114.089
Base-Backbone interact. energy: 1.198
local terms energy: -266.056335
where:
bonds (distance) C4'-P energy: -84.015
bonds (distance) P-C4' energy: -83.817
flat angles C4'-P-C4' energy: -69.400
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: 20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1777.120717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.120717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.120717 (E_RNA)
where:
Base-Base interactions energy: -1218.200
where: short stacking energy: -526.162
Base-Backbone interact. energy: 4.873
local terms energy: -563.794123
where:
bonds (distance) C4'-P energy: -102.670
bonds (distance) P-C4' energy: -101.088
flat angles C4'-P-C4' energy: -112.068
flat angles P-C4'-P energy: -76.976
tors. eta vs tors. theta energy: -170.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1683.861669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.861669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.861669 (E_RNA)
where:
Base-Base interactions energy: -1151.721
where: short stacking energy: -491.903
Base-Backbone interact. energy: -1.584
local terms energy: -530.555925
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -100.481
flat angles C4'-P-C4' energy: -108.972
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -152.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1564.426000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.426000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.426000 (E_RNA)
where:
Base-Base interactions energy: -1099.389
where: short stacking energy: -479.897
Base-Backbone interact. energy: -4.346
local terms energy: -460.691427
where:
bonds (distance) C4'-P energy: -93.522
bonds (distance) P-C4' energy: -76.464
flat angles C4'-P-C4' energy: -104.325
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: -128.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1513.494855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.494855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.494855 (E_RNA)
where:
Base-Base interactions energy: -1060.503
where: short stacking energy: -449.026
Base-Backbone interact. energy: 6.278
local terms energy: -459.270303
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -88.625
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -118.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1472.097720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.097720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.097720 (E_RNA)
where:
Base-Base interactions energy: -1029.539
where: short stacking energy: -448.623
Base-Backbone interact. energy: -0.500
local terms energy: -442.058231
where:
bonds (distance) C4'-P energy: -70.186
bonds (distance) P-C4' energy: -91.255
flat angles C4'-P-C4' energy: -94.230
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: -125.736
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: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1350.499894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.499894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.499894 (E_RNA)
where:
Base-Base interactions energy: -951.766
where: short stacking energy: -413.816
Base-Backbone interact. energy: -1.701
local terms energy: -397.032626
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -83.912
flat angles C4'-P-C4' energy: -78.333
flat angles P-C4'-P energy: -58.287
tors. eta vs tors. theta energy: -106.729
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: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1239.795081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.795081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.795081 (E_RNA)
where:
Base-Base interactions energy: -854.412
where: short stacking energy: -359.681
Base-Backbone interact. energy: -2.038
local terms energy: -383.344567
where:
bonds (distance) C4'-P energy: -76.655
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -96.355
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -82.454
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: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -940.698725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.698725 (E_RNA)
where:
Base-Base interactions energy: -588.048
where: short stacking energy: -267.774
Base-Backbone interact. energy: -1.616
local terms energy: -351.034874
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -84.704
flat angles C4'-P-C4' energy: -88.071
flat angles P-C4'-P energy: -49.237
tors. eta vs tors. theta energy: -49.667
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: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -676.081982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.081982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.081982 (E_RNA)
where:
Base-Base interactions energy: -383.905
where: short stacking energy: -193.234
Base-Backbone interact. energy: -2.230
local terms energy: -289.946631
where:
bonds (distance) C4'-P energy: -65.251
bonds (distance) P-C4' energy: -72.161
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -43.901
tors. eta vs tors. theta energy: -33.857
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: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -420.429116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.429116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.429116 (E_RNA)
where:
Base-Base interactions energy: -162.711
where: short stacking energy: -125.210
Base-Backbone interact. energy: 0.672
local terms energy: -258.390665
where:
bonds (distance) C4'-P energy: -77.290
bonds (distance) P-C4' energy: -80.741
flat angles C4'-P-C4' energy: -61.659
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: 5.073
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: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1789.100062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.100062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.100062 (E_RNA)
where:
Base-Base interactions energy: -1232.834
where: short stacking energy: -540.196
Base-Backbone interact. energy: 4.137
local terms energy: -560.402604
where:
bonds (distance) C4'-P energy: -99.668
bonds (distance) P-C4' energy: -97.220
flat angles C4'-P-C4' energy: -114.428
flat angles P-C4'-P energy: -82.077
tors. eta vs tors. theta energy: -167.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1657.739980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.739980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.739980 (E_RNA)
where:
Base-Base interactions energy: -1118.948
where: short stacking energy: -487.536
Base-Backbone interact. energy: -1.490
local terms energy: -537.302638
where:
bonds (distance) C4'-P energy: -98.766
bonds (distance) P-C4' energy: -103.446
flat angles C4'-P-C4' energy: -114.708
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -145.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1602.318398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.318398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.318398 (E_RNA)
where:
Base-Base interactions energy: -1132.476
where: short stacking energy: -461.761
Base-Backbone interact. energy: 0.005
local terms energy: -469.847436
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -95.121
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -123.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1541.362882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.362882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.362882 (E_RNA)
where:
Base-Base interactions energy: -1069.450
where: short stacking energy: -440.453
Base-Backbone interact. energy: -0.483
local terms energy: -471.430102
where:
bonds (distance) C4'-P energy: -94.208
bonds (distance) P-C4' energy: -97.503
flat angles C4'-P-C4' energy: -102.002
flat angles P-C4'-P energy: -62.072
tors. eta vs tors. theta energy: -115.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1502.332999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.332999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.332999 (E_RNA)
where:
Base-Base interactions energy: -1047.445
where: short stacking energy: -458.624
Base-Backbone interact. energy: 1.655
local terms energy: -456.543453
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -84.989
flat angles C4'-P-C4' energy: -106.788
flat angles P-C4'-P energy: -53.858
tors. eta vs tors. theta energy: -133.992
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: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1440.817105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.817105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.817105 (E_RNA)
where:
Base-Base interactions energy: -1006.703
where: short stacking energy: -426.168
Base-Backbone interact. energy: -0.869
local terms energy: -433.245330
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -100.183
flat angles P-C4'-P energy: -60.507
tors. eta vs tors. theta energy: -116.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1222.572881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.572881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.572881 (E_RNA)
where:
Base-Base interactions energy: -843.294
where: short stacking energy: -345.241
Base-Backbone interact. energy: 0.416
local terms energy: -379.694172
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -87.444
flat angles C4'-P-C4' energy: -87.611
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -77.966
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: 230
Temperature: 1.250000
Total energy: -908.570414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.570414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.570414 (E_RNA)
where:
Base-Base interactions energy: -580.499
where: short stacking energy: -269.463
Base-Backbone interact. energy: 2.576
local terms energy: -330.647634
where:
bonds (distance) C4'-P energy: -85.979
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -87.637
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -725.958859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.958859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.958859 (E_RNA)
where:
Base-Base interactions energy: -448.065
where: short stacking energy: -221.388
Base-Backbone interact. energy: 6.297
local terms energy: -284.190725
where:
bonds (distance) C4'-P energy: -68.854
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -84.905
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -395.606041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.606041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.606041 (E_RNA)
where:
Base-Base interactions energy: -158.319
where: short stacking energy: -129.526
Base-Backbone interact. energy: 2.776
local terms energy: -240.063005
where:
bonds (distance) C4'-P energy: -67.111
bonds (distance) P-C4' energy: -92.346
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: 9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1776.609394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.609394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.609394 (E_RNA)
where:
Base-Base interactions energy: -1213.112
where: short stacking energy: -556.608
Base-Backbone interact. energy: 0.704
local terms energy: -564.201123
where:
bonds (distance) C4'-P energy: -97.870
bonds (distance) P-C4' energy: -98.054
flat angles C4'-P-C4' energy: -113.735
flat angles P-C4'-P energy: -87.186
tors. eta vs tors. theta energy: -167.356
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: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1648.606658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.606658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.606658 (E_RNA)
where:
Base-Base interactions energy: -1147.984
where: short stacking energy: -477.746
Base-Backbone interact. energy: -0.794
local terms energy: -499.828760
where:
bonds (distance) C4'-P energy: -93.532
bonds (distance) P-C4' energy: -103.265
flat angles C4'-P-C4' energy: -95.444
flat angles P-C4'-P energy: -72.345
tors. eta vs tors. theta energy: -135.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1638.551995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.551995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.551995 (E_RNA)
where:
Base-Base interactions energy: -1133.716
where: short stacking energy: -481.675
Base-Backbone interact. energy: 0.917
local terms energy: -505.753601
where:
bonds (distance) C4'-P energy: -84.814
bonds (distance) P-C4' energy: -96.581
flat angles C4'-P-C4' energy: -106.800
flat angles P-C4'-P energy: -74.933
tors. eta vs tors. theta energy: -142.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1538.195509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.195509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.195509 (E_RNA)
where:
Base-Base interactions energy: -1074.694
where: short stacking energy: -435.333
Base-Backbone interact. energy: -1.778
local terms energy: -461.723292
where:
bonds (distance) C4'-P energy: -100.231
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -109.530
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -115.366
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: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1473.604822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.604822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.604822 (E_RNA)
where:
Base-Base interactions energy: -1009.208
where: short stacking energy: -439.147
Base-Backbone interact. energy: -0.205
local terms energy: -464.191268
where:
bonds (distance) C4'-P energy: -89.294
bonds (distance) P-C4' energy: -73.965
flat angles C4'-P-C4' energy: -98.495
flat angles P-C4'-P energy: -72.971
tors. eta vs tors. theta energy: -129.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1419.021515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.021515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.021515 (E_RNA)
where:
Base-Base interactions energy: -965.872
where: short stacking energy: -406.296
Base-Backbone interact. energy: -2.261
local terms energy: -450.888431
where:
bonds (distance) C4'-P energy: -88.022
bonds (distance) P-C4' energy: -89.982
flat angles C4'-P-C4' energy: -93.565
flat angles P-C4'-P energy: -68.166
tors. eta vs tors. theta energy: -111.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1260.214896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.214896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.214896 (E_RNA)
where:
Base-Base interactions energy: -889.845
where: short stacking energy: -377.173
Base-Backbone interact. energy: 1.164
local terms energy: -371.533744
where:
bonds (distance) C4'-P energy: -67.433
bonds (distance) P-C4' energy: -72.399
flat angles C4'-P-C4' energy: -86.193
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -904.475243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.475243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.475243 (E_RNA)
where:
Base-Base interactions energy: -560.477
where: short stacking energy: -251.759
Base-Backbone interact. energy: 2.354
local terms energy: -346.351778
where:
bonds (distance) C4'-P energy: -93.977
bonds (distance) P-C4' energy: -91.068
flat angles C4'-P-C4' energy: -78.117
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -671.440533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.440533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.440533 (E_RNA)
where:
Base-Base interactions energy: -354.801
where: short stacking energy: -187.766
Base-Backbone interact. energy: 1.272
local terms energy: -317.911502
where:
bonds (distance) C4'-P energy: -86.836
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -79.663
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -423.948247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.948247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.948247 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -125.198
Base-Backbone interact. energy: -3.132
local terms energy: -272.387390
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -96.105
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -7.478
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1793.881512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.881512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.881512 (E_RNA)
where:
Base-Base interactions energy: -1231.849
where: short stacking energy: -561.321
Base-Backbone interact. energy: -2.334
local terms energy: -559.699051
where:
bonds (distance) C4'-P energy: -106.602
bonds (distance) P-C4' energy: -102.902
flat angles C4'-P-C4' energy: -110.891
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -167.365
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: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1656.943381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.943381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.943381 (E_RNA)
where:
Base-Base interactions energy: -1155.427
where: short stacking energy: -485.137
Base-Backbone interact. energy: -2.193
local terms energy: -499.323936
where:
bonds (distance) C4'-P energy: -97.691
bonds (distance) P-C4' energy: -88.053
flat angles C4'-P-C4' energy: -110.869
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -136.434
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: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1632.783206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.783206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.783206 (E_RNA)
where:
Base-Base interactions energy: -1130.126
where: short stacking energy: -483.722
Base-Backbone interact. energy: 0.966
local terms energy: -503.623345
where:
bonds (distance) C4'-P energy: -78.847
bonds (distance) P-C4' energy: -97.064
flat angles C4'-P-C4' energy: -96.772
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -150.065
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: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1508.053832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.053832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.053832 (E_RNA)
where:
Base-Base interactions energy: -1033.162
where: short stacking energy: -447.361
Base-Backbone interact. energy: -1.064
local terms energy: -473.827552
where:
bonds (distance) C4'-P energy: -93.484
bonds (distance) P-C4' energy: -98.677
flat angles C4'-P-C4' energy: -101.236
flat angles P-C4'-P energy: -61.041
tors. eta vs tors. theta energy: -119.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1476.378557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.378557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.378557 (E_RNA)
where:
Base-Base interactions energy: -1025.521
where: short stacking energy: -457.252
Base-Backbone interact. energy: -3.054
local terms energy: -447.803508
where:
bonds (distance) C4'-P energy: -70.044
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -98.128
flat angles P-C4'-P energy: -52.120
tors. eta vs tors. theta energy: -128.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1417.823966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.823966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.823966 (E_RNA)
where:
Base-Base interactions energy: -963.616
where: short stacking energy: -438.654
Base-Backbone interact. energy: -0.316
local terms energy: -453.891756
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -90.299
flat angles C4'-P-C4' energy: -92.323
flat angles P-C4'-P energy: -67.192
tors. eta vs tors. theta energy: -118.923
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: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1304.845721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.845721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.845721 (E_RNA)
where:
Base-Base interactions energy: -911.452
where: short stacking energy: -380.592
Base-Backbone interact. energy: -0.041
local terms energy: -393.353380
where:
bonds (distance) C4'-P energy: -87.502
bonds (distance) P-C4' energy: -92.648
flat angles C4'-P-C4' energy: -83.703
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -88.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -894.305651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.305651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.305651 (E_RNA)
where:
Base-Base interactions energy: -538.730
where: short stacking energy: -273.945
Base-Backbone interact. energy: 1.169
local terms energy: -356.745080
where:
bonds (distance) C4'-P energy: -82.532
bonds (distance) P-C4' energy: -87.190
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -55.789
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -592.516952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.516952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.516952 (E_RNA)
where:
Base-Base interactions energy: -306.448
where: short stacking energy: -189.220
Base-Backbone interact. energy: 1.324
local terms energy: -287.392220
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -85.927
flat angles C4'-P-C4' energy: -70.256
flat angles P-C4'-P energy: -54.895
tors. eta vs tors. theta energy: -6.416
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -398.009823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.009823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.009823 (E_RNA)
where:
Base-Base interactions energy: -132.094
where: short stacking energy: -99.798
Base-Backbone interact. energy: 0.336
local terms energy: -266.251063
where:
bonds (distance) C4'-P energy: -72.975
bonds (distance) P-C4' energy: -88.846
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -52.513
tors. eta vs tors. theta energy: 21.879
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: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1780.839229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.839229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.839229 (E_RNA)
where:
Base-Base interactions energy: -1227.222
where: short stacking energy: -569.179
Base-Backbone interact. energy: -2.942
local terms energy: -550.675264
where:
bonds (distance) C4'-P energy: -92.717
bonds (distance) P-C4' energy: -95.512
flat angles C4'-P-C4' energy: -110.783
flat angles P-C4'-P energy: -80.364
tors. eta vs tors. theta energy: -171.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1675.215997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.215997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.215997 (E_RNA)
where:
Base-Base interactions energy: -1164.184
where: short stacking energy: -477.101
Base-Backbone interact. energy: -2.300
local terms energy: -508.732301
where:
bonds (distance) C4'-P energy: -93.243
bonds (distance) P-C4' energy: -92.360
flat angles C4'-P-C4' energy: -108.976
flat angles P-C4'-P energy: -68.189
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: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1626.821072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.821072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.821072 (E_RNA)
where:
Base-Base interactions energy: -1126.747
where: short stacking energy: -475.855
Base-Backbone interact. energy: -2.712
local terms energy: -497.362063
where:
bonds (distance) C4'-P energy: -95.590
bonds (distance) P-C4' energy: -101.026
flat angles C4'-P-C4' energy: -101.515
flat angles P-C4'-P energy: -68.527
tors. eta vs tors. theta energy: -130.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1474.266924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.266924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.266924 (E_RNA)
where:
Base-Base interactions energy: -997.887
where: short stacking energy: -445.498
Base-Backbone interact. energy: -0.525
local terms energy: -475.855224
where:
bonds (distance) C4'-P energy: -87.982
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -106.409
flat angles P-C4'-P energy: -69.433
tors. eta vs tors. theta energy: -119.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1468.433074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.433074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.433074 (E_RNA)
where:
Base-Base interactions energy: -1019.111
where: short stacking energy: -440.136
Base-Backbone interact. energy: 0.764
local terms energy: -450.086552
where:
bonds (distance) C4'-P energy: -89.282
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -101.829
flat angles P-C4'-P energy: -67.711
tors. eta vs tors. theta energy: -117.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1417.259135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.259135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.259135 (E_RNA)
where:
Base-Base interactions energy: -964.995
where: short stacking energy: -430.209
Base-Backbone interact. energy: 1.052
local terms energy: -453.315816
where:
bonds (distance) C4'-P energy: -85.235
bonds (distance) P-C4' energy: -88.762
flat angles C4'-P-C4' energy: -98.843
flat angles P-C4'-P energy: -68.605
tors. eta vs tors. theta energy: -111.870
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1267.221118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.221118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.221118 (E_RNA)
where:
Base-Base interactions energy: -876.727
where: short stacking energy: -351.195
Base-Backbone interact. energy: -1.083
local terms energy: -389.411791
where:
bonds (distance) C4'-P energy: -51.936
bonds (distance) P-C4' energy: -89.436
flat angles C4'-P-C4' energy: -94.747
flat angles P-C4'-P energy: -63.522
tors. eta vs tors. theta energy: -89.770
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: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -930.626495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.626495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.626495 (E_RNA)
where:
Base-Base interactions energy: -600.654
where: short stacking energy: -272.463
Base-Backbone interact. energy: -1.199
local terms energy: -328.772821
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -77.365
flat angles C4'-P-C4' energy: -71.011
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -58.006
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: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -628.889692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.889692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.889692 (E_RNA)
where:
Base-Base interactions energy: -320.595
where: short stacking energy: -176.882
Base-Backbone interact. energy: -2.450
local terms energy: -305.844743
where:
bonds (distance) C4'-P energy: -85.791
bonds (distance) P-C4' energy: -84.221
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -11.725
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: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -423.298084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.298084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.298084 (E_RNA)
where:
Base-Base interactions energy: -177.486
where: short stacking energy: -115.346
Base-Backbone interact. energy: 0.755
local terms energy: -246.566718
where:
bonds (distance) C4'-P energy: -77.187
bonds (distance) P-C4' energy: -78.417
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: 11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1787.972267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.972267 (E_RNA)
where:
Base-Base interactions energy: -1228.655
where: short stacking energy: -560.037
Base-Backbone interact. energy: -2.733
local terms energy: -556.584230
where:
bonds (distance) C4'-P energy: -106.488
bonds (distance) P-C4' energy: -86.659
flat angles C4'-P-C4' energy: -114.175
flat angles P-C4'-P energy: -78.801
tors. eta vs tors. theta energy: -170.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1668.472569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.472569 (E_RNA)
where:
Base-Base interactions energy: -1147.236
where: short stacking energy: -498.037
Base-Backbone interact. energy: -0.820
local terms energy: -520.417302
where:
bonds (distance) C4'-P energy: -100.503
bonds (distance) P-C4' energy: -93.076
flat angles C4'-P-C4' energy: -106.775
flat angles P-C4'-P energy: -78.850
tors. eta vs tors. theta energy: -141.213
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: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1607.060347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.060347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.060347 (E_RNA)
where:
Base-Base interactions energy: -1117.864
where: short stacking energy: -468.935
Base-Backbone interact. energy: -1.657
local terms energy: -487.539230
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -101.487
flat angles P-C4'-P energy: -67.215
tors. eta vs tors. theta energy: -131.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1472.611870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.611870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.611870 (E_RNA)
where:
Base-Base interactions energy: -1021.378
where: short stacking energy: -434.279
Base-Backbone interact. energy: -2.144
local terms energy: -449.088995
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -100.844
flat angles P-C4'-P energy: -58.168
tors. eta vs tors. theta energy: -120.232
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: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1459.287051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.287051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.287051 (E_RNA)
where:
Base-Base interactions energy: -1021.107
where: short stacking energy: -405.996
Base-Backbone interact. energy: -1.062
local terms energy: -437.118154
where:
bonds (distance) C4'-P energy: -81.432
bonds (distance) P-C4' energy: -90.256
flat angles C4'-P-C4' energy: -98.752
flat angles P-C4'-P energy: -61.581
tors. eta vs tors. theta energy: -105.098
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1418.779288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.779288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.779288 (E_RNA)
where:
Base-Base interactions energy: -965.291
where: short stacking energy: -434.546
Base-Backbone interact. energy: 0.667
local terms energy: -454.155874
where:
bonds (distance) C4'-P energy: -75.918
bonds (distance) P-C4' energy: -93.746
flat angles C4'-P-C4' energy: -102.934
flat angles P-C4'-P energy: -61.268
tors. eta vs tors. theta energy: -120.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1227.769582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.769582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.769582 (E_RNA)
where:
Base-Base interactions energy: -826.725
where: short stacking energy: -350.388
Base-Backbone interact. energy: -0.947
local terms energy: -400.097632
where:
bonds (distance) C4'-P energy: -79.981
bonds (distance) P-C4' energy: -88.780
flat angles C4'-P-C4' energy: -97.203
flat angles P-C4'-P energy: -48.944
tors. eta vs tors. theta energy: -85.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1014.664790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.664790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.664790 (E_RNA)
where:
Base-Base interactions energy: -650.458
where: short stacking energy: -295.045
Base-Backbone interact. energy: 1.638
local terms energy: -365.844991
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -89.277
flat angles C4'-P-C4' energy: -78.890
flat angles P-C4'-P energy: -64.480
tors. eta vs tors. theta energy: -51.650
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: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -630.502860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.502860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.502860 (E_RNA)
where:
Base-Base interactions energy: -347.866
where: short stacking energy: -201.521
Base-Backbone interact. energy: -0.163
local terms energy: -282.473410
where:
bonds (distance) C4'-P energy: -65.045
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -78.393
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -404.159047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.159047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.159047 (E_RNA)
where:
Base-Base interactions energy: -129.920
where: short stacking energy: -127.366
Base-Backbone interact. energy: 2.018
local terms energy: -276.256999
where:
bonds (distance) C4'-P energy: -86.926
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -81.747
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: 21.260
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1771.840681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.840681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.840681 (E_RNA)
where:
Base-Base interactions energy: -1233.755
where: short stacking energy: -554.444
Base-Backbone interact. energy: -1.267
local terms energy: -536.818863
where:
bonds (distance) C4'-P energy: -87.945
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -110.884
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -168.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1678.506908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.506908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.506908 (E_RNA)
where:
Base-Base interactions energy: -1175.586
where: short stacking energy: -500.265
Base-Backbone interact. energy: -3.447
local terms energy: -499.473206
where:
bonds (distance) C4'-P energy: -91.652
bonds (distance) P-C4' energy: -94.088
flat angles C4'-P-C4' energy: -101.244
flat angles P-C4'-P energy: -73.866
tors. eta vs tors. theta energy: -138.623
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: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1601.620654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.620654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.620654 (E_RNA)
where:
Base-Base interactions energy: -1112.899
where: short stacking energy: -457.480
Base-Backbone interact. energy: -4.288
local terms energy: -484.434082
where:
bonds (distance) C4'-P energy: -82.569
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -104.717
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -128.170
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: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1479.673985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.673985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.673985 (E_RNA)
where:
Base-Base interactions energy: -1002.622
where: short stacking energy: -422.324
Base-Backbone interact. energy: -1.633
local terms energy: -475.418861
where:
bonds (distance) C4'-P energy: -87.843
bonds (distance) P-C4' energy: -95.905
flat angles C4'-P-C4' energy: -111.311
flat angles P-C4'-P energy: -64.806
tors. eta vs tors. theta energy: -115.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1442.671113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.671113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.671113 (E_RNA)
where:
Base-Base interactions energy: -988.113
where: short stacking energy: -431.774
Base-Backbone interact. energy: -0.818
local terms energy: -453.739436
where:
bonds (distance) C4'-P energy: -78.820
bonds (distance) P-C4' energy: -90.608
flat angles C4'-P-C4' energy: -108.654
flat angles P-C4'-P energy: -67.039
tors. eta vs tors. theta energy: -108.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1376.619193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.619193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.619193 (E_RNA)
where:
Base-Base interactions energy: -939.402
where: short stacking energy: -406.451
Base-Backbone interact. energy: -3.009
local terms energy: -434.208011
where:
bonds (distance) C4'-P energy: -82.956
bonds (distance) P-C4' energy: -82.395
flat angles C4'-P-C4' energy: -89.178
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -115.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1257.515282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.515282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.515282 (E_RNA)
where:
Base-Base interactions energy: -875.222
where: short stacking energy: -359.978
Base-Backbone interact. energy: -1.081
local terms energy: -381.211947
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -70.689
flat angles C4'-P-C4' energy: -95.111
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -86.635
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: 235
Temperature: 1.250000
Total energy: -1012.775879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.775879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.775879 (E_RNA)
where:
Base-Base interactions energy: -646.743
where: short stacking energy: -288.397
Base-Backbone interact. energy: -1.229
local terms energy: -364.804049
where:
bonds (distance) C4'-P energy: -67.227
bonds (distance) P-C4' energy: -89.336
flat angles C4'-P-C4' energy: -91.168
flat angles P-C4'-P energy: -51.526
tors. eta vs tors. theta energy: -65.548
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: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -607.669251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.669251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.669251 (E_RNA)
where:
Base-Base interactions energy: -326.384
where: short stacking energy: -206.935
Base-Backbone interact. energy: -1.449
local terms energy: -279.836699
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -83.686
flat angles C4'-P-C4' energy: -79.941
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -401.113662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.113662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.113662 (E_RNA)
where:
Base-Base interactions energy: -159.390
where: short stacking energy: -109.420
Base-Backbone interact. energy: -1.678
local terms energy: -240.045461
where:
bonds (distance) C4'-P energy: -68.972
bonds (distance) P-C4' energy: -78.678
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: 19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1784.737236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.737236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.737236 (E_RNA)
where:
Base-Base interactions energy: -1236.297
where: short stacking energy: -565.997
Base-Backbone interact. energy: -3.842
local terms energy: -544.599032
where:
bonds (distance) C4'-P energy: -92.123
bonds (distance) P-C4' energy: -90.658
flat angles C4'-P-C4' energy: -116.415
flat angles P-C4'-P energy: -78.961
tors. eta vs tors. theta energy: -166.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1678.040197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.040197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.040197 (E_RNA)
where:
Base-Base interactions energy: -1168.194
where: short stacking energy: -492.566
Base-Backbone interact. energy: -3.517
local terms energy: -506.330089
where:
bonds (distance) C4'-P energy: -95.729
bonds (distance) P-C4' energy: -100.685
flat angles C4'-P-C4' energy: -98.060
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -141.243
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: 3, replica: 6
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1586.139987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.139987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.139987 (E_RNA)
where:
Base-Base interactions energy: -1087.585
where: short stacking energy: -446.290
Base-Backbone interact. energy: 0.937
local terms energy: -499.492900
where:
bonds (distance) C4'-P energy: -93.086
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -111.577
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: -136.233
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: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1469.842032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.842032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.842032 (E_RNA)
where:
Base-Base interactions energy: -984.534
where: short stacking energy: -417.628
Base-Backbone interact. energy: 2.991
local terms energy: -488.298695
where:
bonds (distance) C4'-P energy: -96.740
bonds (distance) P-C4' energy: -96.853
flat angles C4'-P-C4' energy: -106.785
flat angles P-C4'-P energy: -68.154
tors. eta vs tors. theta energy: -119.767
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1422.960746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.960746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.960746 (E_RNA)
where:
Base-Base interactions energy: -979.999
where: short stacking energy: -422.971
Base-Backbone interact. energy: -1.334
local terms energy: -441.627848
where:
bonds (distance) C4'-P energy: -93.623
bonds (distance) P-C4' energy: -88.479
flat angles C4'-P-C4' energy: -85.130
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -113.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1404.735678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.735678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.735678 (E_RNA)
where:
Base-Base interactions energy: -951.891
where: short stacking energy: -409.407
Base-Backbone interact. energy: -0.830
local terms energy: -452.014839
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -95.305
flat angles C4'-P-C4' energy: -91.511
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -113.110
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: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1285.083395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.083395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.083395 (E_RNA)
where:
Base-Base interactions energy: -885.381
where: short stacking energy: -359.508
Base-Backbone interact. energy: -2.327
local terms energy: -397.374922
where:
bonds (distance) C4'-P energy: -82.997
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -83.095
flat angles P-C4'-P energy: -77.898
tors. eta vs tors. theta energy: -89.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1047.762857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.762857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.762857 (E_RNA)
where:
Base-Base interactions energy: -698.423
where: short stacking energy: -304.017
Base-Backbone interact. energy: -0.023
local terms energy: -349.317146
where:
bonds (distance) C4'-P energy: -77.296
bonds (distance) P-C4' energy: -83.795
flat angles C4'-P-C4' energy: -79.102
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -58.182
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: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -631.210020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.210020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.210020 (E_RNA)
where:
Base-Base interactions energy: -340.409
where: short stacking energy: -194.881
Base-Backbone interact. energy: 2.519
local terms energy: -293.320257
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -90.484
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -489.330780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.330780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.330780 (E_RNA)
where:
Base-Base interactions energy: -249.101
where: short stacking energy: -157.652
Base-Backbone interact. energy: 0.157
local terms energy: -240.386734
where:
bonds (distance) C4'-P energy: -62.450
bonds (distance) P-C4' energy: -80.928
flat angles C4'-P-C4' energy: -79.788
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -4.081
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1803.943205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.943205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.943205 (E_RNA)
where:
Base-Base interactions energy: -1254.460
where: short stacking energy: -547.713
Base-Backbone interact. energy: -0.608
local terms energy: -548.874888
where:
bonds (distance) C4'-P energy: -92.936
bonds (distance) P-C4' energy: -92.169
flat angles C4'-P-C4' energy: -115.588
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -173.365
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: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1684.877627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.877627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.877627 (E_RNA)
where:
Base-Base interactions energy: -1161.977
where: short stacking energy: -489.554
Base-Backbone interact. energy: -1.924
local terms energy: -520.976369
where:
bonds (distance) C4'-P energy: -88.280
bonds (distance) P-C4' energy: -95.661
flat angles C4'-P-C4' energy: -109.103
flat angles P-C4'-P energy: -82.064
tors. eta vs tors. theta energy: -145.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1595.427491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.427491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.427491 (E_RNA)
where:
Base-Base interactions energy: -1090.417
where: short stacking energy: -478.983
Base-Backbone interact. energy: -4.331
local terms energy: -500.679362
where:
bonds (distance) C4'-P energy: -84.504
bonds (distance) P-C4' energy: -101.683
flat angles C4'-P-C4' energy: -100.071
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -148.317
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: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1474.064818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.064818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.064818 (E_RNA)
where:
Base-Base interactions energy: -998.180
where: short stacking energy: -434.841
Base-Backbone interact. energy: -2.753
local terms energy: -473.131966
where:
bonds (distance) C4'-P energy: -81.817
bonds (distance) P-C4' energy: -92.751
flat angles C4'-P-C4' energy: -107.766
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -112.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1415.534455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.534455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.534455 (E_RNA)
where:
Base-Base interactions energy: -976.815
where: short stacking energy: -427.001
Base-Backbone interact. energy: -0.891
local terms energy: -437.829201
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -102.960
flat angles P-C4'-P energy: -62.344
tors. eta vs tors. theta energy: -114.021
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1295.438221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.438221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.438221 (E_RNA)
where:
Base-Base interactions energy: -869.835
where: short stacking energy: -367.076
Base-Backbone interact. energy: -0.842
local terms energy: -424.760959
where:
bonds (distance) C4'-P energy: -86.977
bonds (distance) P-C4' energy: -89.232
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -64.984
tors. eta vs tors. theta energy: -93.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1292.609953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.609953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.609953 (E_RNA)
where:
Base-Base interactions energy: -898.259
where: short stacking energy: -377.832
Base-Backbone interact. energy: -1.487
local terms energy: -392.863941
where:
bonds (distance) C4'-P energy: -89.245
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -86.283
flat angles P-C4'-P energy: -56.960
tors. eta vs tors. theta energy: -84.879
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: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -979.667980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.667980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.667980 (E_RNA)
where:
Base-Base interactions energy: -628.243
where: short stacking energy: -297.809
Base-Backbone interact. energy: -0.189
local terms energy: -351.235853
where:
bonds (distance) C4'-P energy: -60.435
bonds (distance) P-C4' energy: -89.052
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -63.080
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: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -642.669006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.669006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.669006 (E_RNA)
where:
Base-Base interactions energy: -345.319
where: short stacking energy: -181.192
Base-Backbone interact. energy: -2.029
local terms energy: -295.321063
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -99.356
flat angles C4'-P-C4' energy: -61.531
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -473.846051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.846051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.846051 (E_RNA)
where:
Base-Base interactions energy: -186.976
where: short stacking energy: -138.672
Base-Backbone interact. energy: 0.812
local terms energy: -287.682602
where:
bonds (distance) C4'-P energy: -87.001
bonds (distance) P-C4' energy: -86.605
flat angles C4'-P-C4' energy: -70.781
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: 5.724
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1792.465987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.465987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.465987 (E_RNA)
where:
Base-Base interactions energy: -1221.769
where: short stacking energy: -543.239
Base-Backbone interact. energy: -1.305
local terms energy: -569.391401
where:
bonds (distance) C4'-P energy: -105.681
bonds (distance) P-C4' energy: -98.121
flat angles C4'-P-C4' energy: -112.534
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -171.785
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: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1657.569892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.569892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.569892 (E_RNA)
where:
Base-Base interactions energy: -1131.882
where: short stacking energy: -473.606
Base-Backbone interact. energy: -0.260
local terms energy: -525.427188
where:
bonds (distance) C4'-P energy: -99.191
bonds (distance) P-C4' energy: -90.529
flat angles C4'-P-C4' energy: -109.958
flat angles P-C4'-P energy: -80.217
tors. eta vs tors. theta energy: -145.531
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: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1536.539834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.539834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.539834 (E_RNA)
where:
Base-Base interactions energy: -1058.628
where: short stacking energy: -446.089
Base-Backbone interact. energy: -1.589
local terms energy: -476.323554
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -90.841
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -119.323
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1582.722110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.722110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.722110 (E_RNA)
where:
Base-Base interactions energy: -1123.623
where: short stacking energy: -464.535
Base-Backbone interact. energy: 1.780
local terms energy: -460.878462
where:
bonds (distance) C4'-P energy: -74.651
bonds (distance) P-C4' energy: -89.524
flat angles C4'-P-C4' energy: -95.772
flat angles P-C4'-P energy: -62.997
tors. eta vs tors. theta energy: -137.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1383.915454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.915454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.915454 (E_RNA)
where:
Base-Base interactions energy: -927.599
where: short stacking energy: -413.347
Base-Backbone interact. energy: -2.676
local terms energy: -453.641037
where:
bonds (distance) C4'-P energy: -73.158
bonds (distance) P-C4' energy: -87.868
flat angles C4'-P-C4' energy: -107.707
flat angles P-C4'-P energy: -70.851
tors. eta vs tors. theta energy: -114.058
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: 238
Temperature: 1.150000
Total energy: -1383.518709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.518709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.518709 (E_RNA)
where:
Base-Base interactions energy: -919.454
where: short stacking energy: -387.027
Base-Backbone interact. energy: -0.547
local terms energy: -463.517286
where:
bonds (distance) C4'-P energy: -97.526
bonds (distance) P-C4' energy: -93.448
flat angles C4'-P-C4' energy: -104.503
flat angles P-C4'-P energy: -69.543
tors. eta vs tors. theta energy: -98.497
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: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1329.108124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.108124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.108124 (E_RNA)
where:
Base-Base interactions energy: -916.437
where: short stacking energy: -382.890
Base-Backbone interact. energy: 0.900
local terms energy: -413.570754
where:
bonds (distance) C4'-P energy: -71.771
bonds (distance) P-C4' energy: -65.386
flat angles C4'-P-C4' energy: -108.318
flat angles P-C4'-P energy: -60.979
tors. eta vs tors. theta energy: -107.115
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: 238
Temperature: 1.250000
Total energy: -987.284450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.284450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.284450 (E_RNA)
where:
Base-Base interactions energy: -626.773
where: short stacking energy: -292.011
Base-Backbone interact. energy: 0.310
local terms energy: -360.820939
where:
bonds (distance) C4'-P energy: -83.131
bonds (distance) P-C4' energy: -79.622
flat angles C4'-P-C4' energy: -74.729
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -71.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -631.464449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.464449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.464449 (E_RNA)
where:
Base-Base interactions energy: -336.119
where: short stacking energy: -184.558
Base-Backbone interact. energy: 4.996
local terms energy: -300.341475
where:
bonds (distance) C4'-P energy: -76.686
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -8.672
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: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -428.599277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.599277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.599277 (E_RNA)
where:
Base-Base interactions energy: -169.158
where: short stacking energy: -110.736
Base-Backbone interact. energy: 2.065
local terms energy: -261.506175
where:
bonds (distance) C4'-P energy: -72.737
bonds (distance) P-C4' energy: -71.047
flat angles C4'-P-C4' energy: -71.030
flat angles P-C4'-P energy: -45.889
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: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1778.672890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.672890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.672890 (E_RNA)
where:
Base-Base interactions energy: -1217.059
where: short stacking energy: -550.133
Base-Backbone interact. energy: -2.777
local terms energy: -558.836315
where:
bonds (distance) C4'-P energy: -87.267
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -121.261
flat angles P-C4'-P energy: -85.682
tors. eta vs tors. theta energy: -168.290
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1654.365531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.365531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.365531 (E_RNA)
where:
Base-Base interactions energy: -1142.294
where: short stacking energy: -507.132
Base-Backbone interact. energy: -1.191
local terms energy: -510.880429
where:
bonds (distance) C4'-P energy: -81.776
bonds (distance) P-C4' energy: -93.273
flat angles C4'-P-C4' energy: -113.222
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -150.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1572.960739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.960739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.960739 (E_RNA)
where:
Base-Base interactions energy: -1089.087
where: short stacking energy: -474.566
Base-Backbone interact. energy: -1.899
local terms energy: -481.975184
where:
bonds (distance) C4'-P energy: -87.038
bonds (distance) P-C4' energy: -86.070
flat angles C4'-P-C4' energy: -109.547
flat angles P-C4'-P energy: -76.955
tors. eta vs tors. theta energy: -122.366
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: 239
Temperature: 1.050000
Total energy: -1540.992962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.992962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.992962 (E_RNA)
where:
Base-Base interactions energy: -1085.267
where: short stacking energy: -440.249
Base-Backbone interact. energy: 0.367
local terms energy: -456.092646
where:
bonds (distance) C4'-P energy: -65.566
bonds (distance) P-C4' energy: -103.395
flat angles C4'-P-C4' energy: -97.524
flat angles P-C4'-P energy: -69.643
tors. eta vs tors. theta energy: -119.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1386.023064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.023064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.023064 (E_RNA)
where:
Base-Base interactions energy: -955.494
where: short stacking energy: -429.503
Base-Backbone interact. energy: -0.284
local terms energy: -430.244986
where:
bonds (distance) C4'-P energy: -87.368
bonds (distance) P-C4' energy: -78.482
flat angles C4'-P-C4' energy: -89.236
flat angles P-C4'-P energy: -58.560
tors. eta vs tors. theta energy: -116.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1396.680348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.680348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.680348 (E_RNA)
where:
Base-Base interactions energy: -960.920
where: short stacking energy: -407.513
Base-Backbone interact. energy: -2.497
local terms energy: -433.263417
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -86.191
flat angles P-C4'-P energy: -69.832
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1313.507077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.507077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.507077 (E_RNA)
where:
Base-Base interactions energy: -890.502
where: short stacking energy: -377.229
Base-Backbone interact. energy: -0.817
local terms energy: -422.188971
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -84.255
flat angles C4'-P-C4' energy: -99.395
flat angles P-C4'-P energy: -57.784
tors. eta vs tors. theta energy: -90.681
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: 239
Temperature: 1.250000
Total energy: -965.284087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.284087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.284087 (E_RNA)
where:
Base-Base interactions energy: -635.514
where: short stacking energy: -298.199
Base-Backbone interact. energy: 3.312
local terms energy: -333.082649
where:
bonds (distance) C4'-P energy: -67.781
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -75.341
flat angles P-C4'-P energy: -60.785
tors. eta vs tors. theta energy: -60.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -638.100782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.100782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.100782 (E_RNA)
where:
Base-Base interactions energy: -335.036
where: short stacking energy: -180.263
Base-Backbone interact. energy: 0.242
local terms energy: -303.306442
where:
bonds (distance) C4'-P energy: -91.582
bonds (distance) P-C4' energy: -90.876
flat angles C4'-P-C4' energy: -68.647
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -18.515
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -434.539194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.539194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.539194 (E_RNA)
where:
Base-Base interactions energy: -189.252
where: short stacking energy: -151.981
Base-Backbone interact. energy: 0.541
local terms energy: -245.827901
where:
bonds (distance) C4'-P energy: -75.563
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -52.499
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1777.184461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.184461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.184461 (E_RNA)
where:
Base-Base interactions energy: -1222.616
where: short stacking energy: -523.604
Base-Backbone interact. energy: -0.582
local terms energy: -553.986851
where:
bonds (distance) C4'-P energy: -99.339
bonds (distance) P-C4' energy: -101.550
flat angles C4'-P-C4' energy: -114.937
flat angles P-C4'-P energy: -78.812
tors. eta vs tors. theta energy: -159.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1642.626869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.626869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.626869 (E_RNA)
where:
Base-Base interactions energy: -1141.605
where: short stacking energy: -488.676
Base-Backbone interact. energy: -1.570
local terms energy: -499.452258
where:
bonds (distance) C4'-P energy: -87.323
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -104.914
flat angles P-C4'-P energy: -73.378
tors. eta vs tors. theta energy: -134.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1591.046825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.046825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.046825 (E_RNA)
where:
Base-Base interactions energy: -1102.661
where: short stacking energy: -467.302
Base-Backbone interact. energy: -1.769
local terms energy: -486.615908
where:
bonds (distance) C4'-P energy: -79.487
bonds (distance) P-C4' energy: -97.507
flat angles C4'-P-C4' energy: -111.144
flat angles P-C4'-P energy: -70.403
tors. eta vs tors. theta energy: -128.074
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: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1593.486904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.486904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.486904 (E_RNA)
where:
Base-Base interactions energy: -1127.276
where: short stacking energy: -463.147
Base-Backbone interact. energy: -1.489
local terms energy: -464.721300
where:
bonds (distance) C4'-P energy: -84.101
bonds (distance) P-C4' energy: -92.160
flat angles C4'-P-C4' energy: -90.158
flat angles P-C4'-P energy: -65.088
tors. eta vs tors. theta energy: -133.215
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: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1432.110637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.110637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.110637 (E_RNA)
where:
Base-Base interactions energy: -972.750
where: short stacking energy: -403.487
Base-Backbone interact. energy: -2.157
local terms energy: -457.203935
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -95.943
flat angles C4'-P-C4' energy: -96.931
flat angles P-C4'-P energy: -68.162
tors. eta vs tors. theta energy: -108.929
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1345.459826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.459826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.459826 (E_RNA)
where:
Base-Base interactions energy: -911.532
where: short stacking energy: -397.837
Base-Backbone interact. energy: -0.392
local terms energy: -433.535778
where:
bonds (distance) C4'-P energy: -83.488
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -88.588
flat angles P-C4'-P energy: -48.613
tors. eta vs tors. theta energy: -110.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1277.740109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.740109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.740109 (E_RNA)
where:
Base-Base interactions energy: -888.163
where: short stacking energy: -361.551
Base-Backbone interact. energy: -2.729
local terms energy: -386.847376
where:
bonds (distance) C4'-P energy: -76.619
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -85.641
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: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -995.843897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.843897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.843897 (E_RNA)
where:
Base-Base interactions energy: -632.341
where: short stacking energy: -307.780
Base-Backbone interact. energy: 10.167
local terms energy: -373.670073
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -77.944
flat angles P-C4'-P energy: -57.063
tors. eta vs tors. theta energy: -62.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -658.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.896826 (E_RNA)
where:
Base-Base interactions energy: -349.015
where: short stacking energy: -218.854
Base-Backbone interact. energy: -0.757
local terms energy: -309.125194
where:
bonds (distance) C4'-P energy: -79.999
bonds (distance) P-C4' energy: -94.715
flat angles C4'-P-C4' energy: -72.335
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -442.731763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.731763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.731763 (E_RNA)
where:
Base-Base interactions energy: -194.466
where: short stacking energy: -131.699
Base-Backbone interact. energy: 2.361
local terms energy: -250.627184
where:
bonds (distance) C4'-P energy: -89.108
bonds (distance) P-C4' energy: -83.618
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -4.941
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1780.056438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.056438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.056438 (E_RNA)
where:
Base-Base interactions energy: -1225.576
where: short stacking energy: -520.842
Base-Backbone interact. energy: 2.818
local terms energy: -557.298165
where:
bonds (distance) C4'-P energy: -90.134
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -117.019
flat angles P-C4'-P energy: -82.852
tors. eta vs tors. theta energy: -162.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1649.990604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.990604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.990604 (E_RNA)
where:
Base-Base interactions energy: -1129.686
where: short stacking energy: -485.035
Base-Backbone interact. energy: -0.029
local terms energy: -520.275857
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -107.320
flat angles C4'-P-C4' energy: -108.243
flat angles P-C4'-P energy: -72.537
tors. eta vs tors. theta energy: -135.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1579.930352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.930352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.930352 (E_RNA)
where:
Base-Base interactions energy: -1078.365
where: short stacking energy: -453.520
Base-Backbone interact. energy: -1.470
local terms energy: -500.095341
where:
bonds (distance) C4'-P energy: -80.596
bonds (distance) P-C4' energy: -95.487
flat angles C4'-P-C4' energy: -120.161
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -124.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1563.750827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.750827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.750827 (E_RNA)
where:
Base-Base interactions energy: -1063.908
where: short stacking energy: -428.127
Base-Backbone interact. energy: -3.271
local terms energy: -496.571486
where:
bonds (distance) C4'-P energy: -97.741
bonds (distance) P-C4' energy: -92.044
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -63.635
tors. eta vs tors. theta energy: -128.847
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: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1491.691318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.691318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.691318 (E_RNA)
where:
Base-Base interactions energy: -1044.264
where: short stacking energy: -446.391
Base-Backbone interact. energy: -0.241
local terms energy: -447.186075
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -71.097
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -66.296
tors. eta vs tors. theta energy: -126.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1329.923260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.923260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.923260 (E_RNA)
where:
Base-Base interactions energy: -921.886
where: short stacking energy: -413.007
Base-Backbone interact. energy: -0.731
local terms energy: -407.306805
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -73.826
flat angles C4'-P-C4' energy: -88.028
flat angles P-C4'-P energy: -60.293
tors. eta vs tors. theta energy: -111.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1304.404638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.404638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.404638 (E_RNA)
where:
Base-Base interactions energy: -899.930
where: short stacking energy: -375.124
Base-Backbone interact. energy: -2.909
local terms energy: -401.565662
where:
bonds (distance) C4'-P energy: -87.545
bonds (distance) P-C4' energy: -79.011
flat angles C4'-P-C4' energy: -88.627
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -88.374
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: 241
Temperature: 1.250000
Total energy: -1016.227648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.227648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.227648 (E_RNA)
where:
Base-Base interactions energy: -680.297
where: short stacking energy: -304.524
Base-Backbone interact. energy: 1.412
local terms energy: -337.342845
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -76.610
flat angles C4'-P-C4' energy: -85.285
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -70.431
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: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -636.749926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.749926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.749926 (E_RNA)
where:
Base-Base interactions energy: -339.348
where: short stacking energy: -177.132
Base-Backbone interact. energy: 0.273
local terms energy: -297.675297
where:
bonds (distance) C4'-P energy: -84.714
bonds (distance) P-C4' energy: -86.684
flat angles C4'-P-C4' energy: -92.333
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -521.454945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.454945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.454945 (E_RNA)
where:
Base-Base interactions energy: -221.010
where: short stacking energy: -155.699
Base-Backbone interact. energy: 0.870
local terms energy: -301.314819
where:
bonds (distance) C4'-P energy: -77.568
bonds (distance) P-C4' energy: -104.173
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -45.664
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1784.546225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.546225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.546225 (E_RNA)
where:
Base-Base interactions energy: -1239.240
where: short stacking energy: -538.897
Base-Backbone interact. energy: 3.130
local terms energy: -548.436223
where:
bonds (distance) C4'-P energy: -81.215
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -122.266
flat angles P-C4'-P energy: -75.841
tors. eta vs tors. theta energy: -173.131
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: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1650.255342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.255342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.255342 (E_RNA)
where:
Base-Base interactions energy: -1130.515
where: short stacking energy: -474.471
Base-Backbone interact. energy: -0.198
local terms energy: -519.542949
where:
bonds (distance) C4'-P energy: -96.703
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -107.416
flat angles P-C4'-P energy: -75.280
tors. eta vs tors. theta energy: -150.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1598.301767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.301767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.301767 (E_RNA)
where:
Base-Base interactions energy: -1094.500
where: short stacking energy: -461.496
Base-Backbone interact. energy: -2.110
local terms energy: -501.691805
where:
bonds (distance) C4'-P energy: -99.055
bonds (distance) P-C4' energy: -86.704
flat angles C4'-P-C4' energy: -104.393
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -133.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1572.586385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.586385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.586385 (E_RNA)
where:
Base-Base interactions energy: -1107.512
where: short stacking energy: -466.977
Base-Backbone interact. energy: -0.550
local terms energy: -464.524040
where:
bonds (distance) C4'-P energy: -91.089
bonds (distance) P-C4' energy: -83.210
flat angles C4'-P-C4' energy: -103.407
flat angles P-C4'-P energy: -52.221
tors. eta vs tors. theta energy: -134.596
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: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1510.794120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.794120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.794120 (E_RNA)
where:
Base-Base interactions energy: -1033.784
where: short stacking energy: -422.473
Base-Backbone interact. energy: 2.427
local terms energy: -479.436631
where:
bonds (distance) C4'-P energy: -84.370
bonds (distance) P-C4' energy: -102.961
flat angles C4'-P-C4' energy: -105.080
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -115.287
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1326.406324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.406324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.406324 (E_RNA)
where:
Base-Base interactions energy: -906.759
where: short stacking energy: -405.394
Base-Backbone interact. energy: -0.316
local terms energy: -419.331925
where:
bonds (distance) C4'-P energy: -86.484
bonds (distance) P-C4' energy: -76.680
flat angles C4'-P-C4' energy: -90.891
flat angles P-C4'-P energy: -64.005
tors. eta vs tors. theta energy: -101.271
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: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1349.586500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.586500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.586500 (E_RNA)
where:
Base-Base interactions energy: -949.551
where: short stacking energy: -390.079
Base-Backbone interact. energy: 2.435
local terms energy: -402.469855
where:
bonds (distance) C4'-P energy: -62.931
bonds (distance) P-C4' energy: -90.309
flat angles C4'-P-C4' energy: -98.240
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -100.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1021.642902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.642902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.642902 (E_RNA)
where:
Base-Base interactions energy: -650.599
where: short stacking energy: -310.482
Base-Backbone interact. energy: 1.204
local terms energy: -372.247863
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -94.026
flat angles P-C4'-P energy: -51.943
tors. eta vs tors. theta energy: -60.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -688.115466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.115466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.115466 (E_RNA)
where:
Base-Base interactions energy: -380.601
where: short stacking energy: -192.199
Base-Backbone interact. energy: -4.038
local terms energy: -303.476783
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -80.162
flat angles C4'-P-C4' energy: -85.591
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -451.047361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.047361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.047361 (E_RNA)
where:
Base-Base interactions energy: -206.505
where: short stacking energy: -116.854
Base-Backbone interact. energy: -2.849
local terms energy: -241.692776
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -79.366
flat angles C4'-P-C4' energy: -60.221
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: 9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1780.287058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.287058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.287058 (E_RNA)
where:
Base-Base interactions energy: -1231.871
where: short stacking energy: -522.874
Base-Backbone interact. energy: 4.050
local terms energy: -552.465684
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -97.571
flat angles C4'-P-C4' energy: -112.975
flat angles P-C4'-P energy: -75.848
tors. eta vs tors. theta energy: -169.288
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: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1681.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.996725 (E_RNA)
where:
Base-Base interactions energy: -1170.568
where: short stacking energy: -496.893
Base-Backbone interact. energy: -0.676
local terms energy: -510.752516
where:
bonds (distance) C4'-P energy: -102.602
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -105.437
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -141.130
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: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1595.367223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.367223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.367223 (E_RNA)
where:
Base-Base interactions energy: -1114.186
where: short stacking energy: -471.323
Base-Backbone interact. energy: 0.233
local terms energy: -481.413809
where:
bonds (distance) C4'-P energy: -98.119
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -92.258
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -131.479
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: 243
Temperature: 1.050000
Total energy: -1588.772019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.772019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.772019 (E_RNA)
where:
Base-Base interactions energy: -1108.675
where: short stacking energy: -458.649
Base-Backbone interact. energy: -1.881
local terms energy: -478.215278
where:
bonds (distance) C4'-P energy: -80.161
bonds (distance) P-C4' energy: -90.148
flat angles C4'-P-C4' energy: -102.328
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -134.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1469.265641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.265641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.265641 (E_RNA)
where:
Base-Base interactions energy: -1025.625
where: short stacking energy: -419.715
Base-Backbone interact. energy: 1.969
local terms energy: -445.608997
where:
bonds (distance) C4'-P energy: -88.671
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -89.366
flat angles P-C4'-P energy: -46.778
tors. eta vs tors. theta energy: -122.779
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: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1387.074103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.074103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.074103 (E_RNA)
where:
Base-Base interactions energy: -952.052
where: short stacking energy: -402.475
Base-Backbone interact. energy: 1.357
local terms energy: -436.378593
where:
bonds (distance) C4'-P energy: -84.078
bonds (distance) P-C4' energy: -74.107
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -112.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1267.957133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.957133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.957133 (E_RNA)
where:
Base-Base interactions energy: -859.464
where: short stacking energy: -390.494
Base-Backbone interact. energy: -0.482
local terms energy: -408.010707
where:
bonds (distance) C4'-P energy: -73.579
bonds (distance) P-C4' energy: -85.130
flat angles C4'-P-C4' energy: -100.351
flat angles P-C4'-P energy: -47.752
tors. eta vs tors. theta energy: -101.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1013.616120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.616120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.616120 (E_RNA)
where:
Base-Base interactions energy: -674.745
where: short stacking energy: -281.983
Base-Backbone interact. energy: -1.038
local terms energy: -337.833041
where:
bonds (distance) C4'-P energy: -79.128
bonds (distance) P-C4' energy: -77.898
flat angles C4'-P-C4' energy: -84.804
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -63.025
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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -754.093653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.093653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.093653 (E_RNA)
where:
Base-Base interactions energy: -418.442
where: short stacking energy: -249.294
Base-Backbone interact. energy: -0.249
local terms energy: -335.402491
where:
bonds (distance) C4'-P energy: -75.570
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -59.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -496.030540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.030540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.030540 (E_RNA)
where:
Base-Base interactions energy: -223.710
where: short stacking energy: -124.740
Base-Backbone interact. energy: 0.195
local terms energy: -272.515844
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -78.947
flat angles C4'-P-C4' energy: -88.294
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1792.749731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.749731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.749731 (E_RNA)
where:
Base-Base interactions energy: -1231.621
where: short stacking energy: -529.987
Base-Backbone interact. energy: -1.876
local terms energy: -559.252669
where:
bonds (distance) C4'-P energy: -105.731
bonds (distance) P-C4' energy: -103.928
flat angles C4'-P-C4' energy: -110.762
flat angles P-C4'-P energy: -73.265
tors. eta vs tors. theta energy: -165.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1688.213445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.213445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.213445 (E_RNA)
where:
Base-Base interactions energy: -1200.240
where: short stacking energy: -501.423
Base-Backbone interact. energy: 3.034
local terms energy: -491.007517
where:
bonds (distance) C4'-P energy: -91.403
bonds (distance) P-C4' energy: -89.472
flat angles C4'-P-C4' energy: -102.606
flat angles P-C4'-P energy: -69.009
tors. eta vs tors. theta energy: -138.517
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1644.696456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.696456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.696456 (E_RNA)
where:
Base-Base interactions energy: -1151.694
where: short stacking energy: -470.615
Base-Backbone interact. energy: -3.055
local terms energy: -489.947823
where:
bonds (distance) C4'-P energy: -87.823
bonds (distance) P-C4' energy: -88.814
flat angles C4'-P-C4' energy: -110.998
flat angles P-C4'-P energy: -67.615
tors. eta vs tors. theta energy: -134.698
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1583.107855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.107855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.107855 (E_RNA)
where:
Base-Base interactions energy: -1105.490
where: short stacking energy: -460.714
Base-Backbone interact. energy: 0.208
local terms energy: -477.825981
where:
bonds (distance) C4'-P energy: -82.321
bonds (distance) P-C4' energy: -90.601
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -64.483
tors. eta vs tors. theta energy: -139.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1480.532158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.532158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.532158 (E_RNA)
where:
Base-Base interactions energy: -1037.135
where: short stacking energy: -463.286
Base-Backbone interact. energy: 0.549
local terms energy: -443.946019
where:
bonds (distance) C4'-P energy: -76.730
bonds (distance) P-C4' energy: -86.358
flat angles C4'-P-C4' energy: -96.387
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -127.096
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: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1400.438030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.438030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.438030 (E_RNA)
where:
Base-Base interactions energy: -981.786
where: short stacking energy: -388.957
Base-Backbone interact. energy: -0.152
local terms energy: -418.499715
where:
bonds (distance) C4'-P energy: -82.090
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -94.080
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -103.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1234.451969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.451969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.451969 (E_RNA)
where:
Base-Base interactions energy: -820.288
where: short stacking energy: -343.231
Base-Backbone interact. energy: -1.872
local terms energy: -412.291877
where:
bonds (distance) C4'-P energy: -80.611
bonds (distance) P-C4' energy: -91.105
flat angles C4'-P-C4' energy: -91.886
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -91.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -983.865333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.865333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.865333 (E_RNA)
where:
Base-Base interactions energy: -626.107
where: short stacking energy: -280.777
Base-Backbone interact. energy: -1.143
local terms energy: -356.615005
where:
bonds (distance) C4'-P energy: -67.730
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -84.429
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -60.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -697.580183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.580183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.580183 (E_RNA)
where:
Base-Base interactions energy: -382.426
where: short stacking energy: -219.501
Base-Backbone interact. energy: -0.242
local terms energy: -314.912438
where:
bonds (distance) C4'-P energy: -84.159
bonds (distance) P-C4' energy: -83.257
flat angles C4'-P-C4' energy: -89.487
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -19.000
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -515.341486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.341486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.341486 (E_RNA)
where:
Base-Base interactions energy: -240.059
where: short stacking energy: -129.986
Base-Backbone interact. energy: 0.649
local terms energy: -275.931119
where:
bonds (distance) C4'-P energy: -73.290
bonds (distance) P-C4' energy: -96.431
flat angles C4'-P-C4' energy: -78.703
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: 3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1782.595369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.595369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.595369 (E_RNA)
where:
Base-Base interactions energy: -1222.167
where: short stacking energy: -534.851
Base-Backbone interact. energy: -0.704
local terms energy: -559.725045
where:
bonds (distance) C4'-P energy: -95.800
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -108.161
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -172.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1727.687483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.687483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.687483 (E_RNA)
where:
Base-Base interactions energy: -1195.984
where: short stacking energy: -518.905
Base-Backbone interact. energy: -1.019
local terms energy: -530.684311
where:
bonds (distance) C4'-P energy: -96.815
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -77.953
tors. eta vs tors. theta energy: -152.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1628.724237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.724237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.724237 (E_RNA)
where:
Base-Base interactions energy: -1116.118
where: short stacking energy: -455.832
Base-Backbone interact. energy: -3.477
local terms energy: -509.128961
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -100.683
flat angles C4'-P-C4' energy: -107.432
flat angles P-C4'-P energy: -69.719
tors. eta vs tors. theta energy: -137.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1612.519423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.519423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.519423 (E_RNA)
where:
Base-Base interactions energy: -1121.634
where: short stacking energy: -484.787
Base-Backbone interact. energy: -0.679
local terms energy: -490.207192
where:
bonds (distance) C4'-P energy: -87.290
bonds (distance) P-C4' energy: -108.489
flat angles C4'-P-C4' energy: -108.889
flat angles P-C4'-P energy: -66.059
tors. eta vs tors. theta energy: -119.480
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1447.296535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.296535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.296535 (E_RNA)
where:
Base-Base interactions energy: -1002.729
where: short stacking energy: -405.584
Base-Backbone interact. energy: -1.261
local terms energy: -443.307005
where:
bonds (distance) C4'-P energy: -91.930
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -89.312
flat angles P-C4'-P energy: -58.852
tors. eta vs tors. theta energy: -107.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1416.194125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.194125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.194125 (E_RNA)
where:
Base-Base interactions energy: -988.322
where: short stacking energy: -397.216
Base-Backbone interact. energy: -1.433
local terms energy: -426.439259
where:
bonds (distance) C4'-P energy: -83.571
bonds (distance) P-C4' energy: -94.480
flat angles C4'-P-C4' energy: -104.322
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: -102.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1236.102965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.102965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.102965 (E_RNA)
where:
Base-Base interactions energy: -819.528
where: short stacking energy: -358.101
Base-Backbone interact. energy: -0.762
local terms energy: -415.812411
where:
bonds (distance) C4'-P energy: -76.103
bonds (distance) P-C4' energy: -87.184
flat angles C4'-P-C4' energy: -94.248
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -90.247
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: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1014.130073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.130073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.130073 (E_RNA)
where:
Base-Base interactions energy: -638.697
where: short stacking energy: -296.924
Base-Backbone interact. energy: -1.694
local terms energy: -373.739584
where:
bonds (distance) C4'-P energy: -86.786
bonds (distance) P-C4' energy: -91.000
flat angles C4'-P-C4' energy: -83.591
flat angles P-C4'-P energy: -49.078
tors. eta vs tors. theta energy: -63.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -688.318234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.318234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.318234 (E_RNA)
where:
Base-Base interactions energy: -380.063
where: short stacking energy: -211.483
Base-Backbone interact. energy: -2.210
local terms energy: -306.045729
where:
bonds (distance) C4'-P energy: -82.122
bonds (distance) P-C4' energy: -72.080
flat angles C4'-P-C4' energy: -88.941
flat angles P-C4'-P energy: -51.801
tors. eta vs tors. theta energy: -11.101
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: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -594.965931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.965931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.965931 (E_RNA)
where:
Base-Base interactions energy: -307.253
where: short stacking energy: -153.409
Base-Backbone interact. energy: -0.356
local terms energy: -287.356701
where:
bonds (distance) C4'-P energy: -91.941
bonds (distance) P-C4' energy: -86.950
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: 10.099
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: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1786.378858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.378858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.378858 (E_RNA)
where:
Base-Base interactions energy: -1249.341
where: short stacking energy: -539.655
Base-Backbone interact. energy: -0.790
local terms energy: -536.247908
where:
bonds (distance) C4'-P energy: -83.106
bonds (distance) P-C4' energy: -89.196
flat angles C4'-P-C4' energy: -111.163
flat angles P-C4'-P energy: -80.199
tors. eta vs tors. theta energy: -172.584
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1676.335888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.335888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.335888 (E_RNA)
where:
Base-Base interactions energy: -1160.070
where: short stacking energy: -478.399
Base-Backbone interact. energy: -3.557
local terms energy: -512.709283
where:
bonds (distance) C4'-P energy: -86.522
bonds (distance) P-C4' energy: -99.978
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -69.866
tors. eta vs tors. theta energy: -143.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1637.645079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.645079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.645079 (E_RNA)
where:
Base-Base interactions energy: -1135.327
where: short stacking energy: -482.796
Base-Backbone interact. energy: -2.343
local terms energy: -499.974486
where:
bonds (distance) C4'-P energy: -83.614
bonds (distance) P-C4' energy: -97.289
flat angles C4'-P-C4' energy: -105.744
flat angles P-C4'-P energy: -74.289
tors. eta vs tors. theta energy: -139.039
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1663.109822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.109822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.109822 (E_RNA)
where:
Base-Base interactions energy: -1147.582
where: short stacking energy: -482.244
Base-Backbone interact. energy: -3.795
local terms energy: -511.732910
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -107.028
flat angles P-C4'-P energy: -69.306
tors. eta vs tors. theta energy: -139.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1432.188649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.188649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.188649 (E_RNA)
where:
Base-Base interactions energy: -974.683
where: short stacking energy: -418.063
Base-Backbone interact. energy: -3.955
local terms energy: -453.550933
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -97.143
flat angles C4'-P-C4' energy: -101.047
flat angles P-C4'-P energy: -58.817
tors. eta vs tors. theta energy: -108.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1366.133627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.133627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.133627 (E_RNA)
where:
Base-Base interactions energy: -942.576
where: short stacking energy: -395.996
Base-Backbone interact. energy: 3.075
local terms energy: -426.632375
where:
bonds (distance) C4'-P energy: -91.982
bonds (distance) P-C4' energy: -88.512
flat angles C4'-P-C4' energy: -91.432
flat angles P-C4'-P energy: -55.812
tors. eta vs tors. theta energy: -98.894
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: 246
Temperature: 1.200000
Total energy: -1204.991029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.991029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.991029 (E_RNA)
where:
Base-Base interactions energy: -811.016
where: short stacking energy: -361.244
Base-Backbone interact. energy: -1.502
local terms energy: -392.473770
where:
bonds (distance) C4'-P energy: -82.823
bonds (distance) P-C4' energy: -85.057
flat angles C4'-P-C4' energy: -95.739
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -80.350
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: 246
Temperature: 1.250000
Total energy: -1044.305612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.305612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.305612 (E_RNA)
where:
Base-Base interactions energy: -675.288
where: short stacking energy: -322.148
Base-Backbone interact. energy: -1.932
local terms energy: -367.085918
where:
bonds (distance) C4'-P energy: -81.293
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -91.943
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -68.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -664.486938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.486938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.486938 (E_RNA)
where:
Base-Base interactions energy: -343.479
where: short stacking energy: -178.851
Base-Backbone interact. energy: 0.748
local terms energy: -321.756241
where:
bonds (distance) C4'-P energy: -75.490
bonds (distance) P-C4' energy: -88.775
flat angles C4'-P-C4' energy: -82.626
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -26.881
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -601.222042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.222042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.222042 (E_RNA)
where:
Base-Base interactions energy: -309.739
where: short stacking energy: -179.248
Base-Backbone interact. energy: -2.292
local terms energy: -289.191276
where:
bonds (distance) C4'-P energy: -82.047
bonds (distance) P-C4' energy: -81.145
flat angles C4'-P-C4' energy: -69.583
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -16.971
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: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1786.325729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.325729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.325729 (E_RNA)
where:
Base-Base interactions energy: -1215.549
where: short stacking energy: -554.892
Base-Backbone interact. energy: 1.559
local terms energy: -572.335464
where:
bonds (distance) C4'-P energy: -100.588
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -81.838
tors. eta vs tors. theta energy: -171.969
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: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1685.762200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.762200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.762200 (E_RNA)
where:
Base-Base interactions energy: -1144.691
where: short stacking energy: -480.655
Base-Backbone interact. energy: 0.993
local terms energy: -542.064264
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -113.105
flat angles P-C4'-P energy: -85.960
tors. eta vs tors. theta energy: -138.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1595.555733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.555733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.555733 (E_RNA)
where:
Base-Base interactions energy: -1119.418
where: short stacking energy: -476.054
Base-Backbone interact. energy: 1.670
local terms energy: -477.807767
where:
bonds (distance) C4'-P energy: -81.396
bonds (distance) P-C4' energy: -88.130
flat angles C4'-P-C4' energy: -111.052
flat angles P-C4'-P energy: -66.040
tors. eta vs tors. theta energy: -131.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1625.406178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.406178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.406178 (E_RNA)
where:
Base-Base interactions energy: -1124.170
where: short stacking energy: -473.981
Base-Backbone interact. energy: -2.610
local terms energy: -498.626214
where:
bonds (distance) C4'-P energy: -93.168
bonds (distance) P-C4' energy: -88.968
flat angles C4'-P-C4' energy: -105.450
flat angles P-C4'-P energy: -64.889
tors. eta vs tors. theta energy: -146.152
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: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1449.691836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.691836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.691836 (E_RNA)
where:
Base-Base interactions energy: -1001.344
where: short stacking energy: -425.584
Base-Backbone interact. energy: 4.568
local terms energy: -452.915267
where:
bonds (distance) C4'-P energy: -87.399
bonds (distance) P-C4' energy: -90.427
flat angles C4'-P-C4' energy: -88.014
flat angles P-C4'-P energy: -70.877
tors. eta vs tors. theta energy: -116.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1351.367480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.367480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.367480 (E_RNA)
where:
Base-Base interactions energy: -902.754
where: short stacking energy: -372.843
Base-Backbone interact. energy: 0.072
local terms energy: -448.685609
where:
bonds (distance) C4'-P energy: -95.518
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -89.157
flat angles P-C4'-P energy: -70.722
tors. eta vs tors. theta energy: -98.570
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: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1187.646033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.646033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.646033 (E_RNA)
where:
Base-Base interactions energy: -774.400
where: short stacking energy: -330.112
Base-Backbone interact. energy: 0.658
local terms energy: -413.903982
where:
bonds (distance) C4'-P energy: -92.314
bonds (distance) P-C4' energy: -88.171
flat angles C4'-P-C4' energy: -88.503
flat angles P-C4'-P energy: -63.018
tors. eta vs tors. theta energy: -81.897
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: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1024.308449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.308449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.308449 (E_RNA)
where:
Base-Base interactions energy: -648.643
where: short stacking energy: -299.739
Base-Backbone interact. energy: -1.683
local terms energy: -373.982731
where:
bonds (distance) C4'-P energy: -93.204
bonds (distance) P-C4' energy: -96.021
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -57.640
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: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -695.571170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.571170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.571170 (E_RNA)
where:
Base-Base interactions energy: -414.412
where: short stacking energy: -231.548
Base-Backbone interact. energy: -0.173
local terms energy: -280.986657
where:
bonds (distance) C4'-P energy: -69.908
bonds (distance) P-C4' energy: -77.298
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -27.410
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: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -585.808272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.808272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.808272 (E_RNA)
where:
Base-Base interactions energy: -301.911
where: short stacking energy: -160.528
Base-Backbone interact. energy: 2.035
local terms energy: -285.932202
where:
bonds (distance) C4'-P energy: -79.566
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -65.236
flat angles P-C4'-P energy: -49.699
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1771.083210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.083210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.083210 (E_RNA)
where:
Base-Base interactions energy: -1219.569
where: short stacking energy: -538.177
Base-Backbone interact. energy: -1.162
local terms energy: -550.352217
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -101.862
flat angles C4'-P-C4' energy: -108.858
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -168.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1731.121653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.121653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.121653 (E_RNA)
where:
Base-Base interactions energy: -1215.722
where: short stacking energy: -526.895
Base-Backbone interact. energy: -0.339
local terms energy: -515.061038
where:
bonds (distance) C4'-P energy: -91.895
bonds (distance) P-C4' energy: -92.144
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -152.333
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: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1656.606345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.606345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.606345 (E_RNA)
where:
Base-Base interactions energy: -1156.115
where: short stacking energy: -482.511
Base-Backbone interact. energy: 0.616
local terms energy: -501.107803
where:
bonds (distance) C4'-P energy: -106.713
bonds (distance) P-C4' energy: -86.691
flat angles C4'-P-C4' energy: -110.156
flat angles P-C4'-P energy: -66.744
tors. eta vs tors. theta energy: -130.804
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: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1539.813887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.813887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.813887 (E_RNA)
where:
Base-Base interactions energy: -1067.362
where: short stacking energy: -437.187
Base-Backbone interact. energy: -1.766
local terms energy: -470.686380
where:
bonds (distance) C4'-P energy: -83.126
bonds (distance) P-C4' energy: -96.291
flat angles C4'-P-C4' energy: -90.796
flat angles P-C4'-P energy: -67.267
tors. eta vs tors. theta energy: -133.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1469.775493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.775493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.775493 (E_RNA)
where:
Base-Base interactions energy: -1033.283
where: short stacking energy: -439.582
Base-Backbone interact. energy: -0.829
local terms energy: -435.663866
where:
bonds (distance) C4'-P energy: -77.681
bonds (distance) P-C4' energy: -77.334
flat angles C4'-P-C4' energy: -97.647
flat angles P-C4'-P energy: -75.176
tors. eta vs tors. theta energy: -107.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1367.934815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.934815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.934815 (E_RNA)
where:
Base-Base interactions energy: -943.045
where: short stacking energy: -398.721
Base-Backbone interact. energy: -2.476
local terms energy: -422.414405
where:
bonds (distance) C4'-P energy: -73.527
bonds (distance) P-C4' energy: -98.759
flat angles C4'-P-C4' energy: -90.525
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -100.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1223.697576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.697576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.697576 (E_RNA)
where:
Base-Base interactions energy: -820.655
where: short stacking energy: -347.286
Base-Backbone interact. energy: 1.467
local terms energy: -404.508926
where:
bonds (distance) C4'-P energy: -80.734
bonds (distance) P-C4' energy: -85.688
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -84.444
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: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -973.462158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.462158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.462158 (E_RNA)
where:
Base-Base interactions energy: -623.429
where: short stacking energy: -291.946
Base-Backbone interact. energy: -1.259
local terms energy: -348.774480
where:
bonds (distance) C4'-P energy: -77.432
bonds (distance) P-C4' energy: -81.355
flat angles C4'-P-C4' energy: -94.516
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: -54.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -600.370884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.370884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.370884 (E_RNA)
where:
Base-Base interactions energy: -323.544
where: short stacking energy: -198.051
Base-Backbone interact. energy: -0.588
local terms energy: -276.238927
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -73.183
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -33.616
tors. eta vs tors. theta energy: -16.294
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: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -611.459669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.459669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.459669 (E_RNA)
where:
Base-Base interactions energy: -319.958
where: short stacking energy: -186.967
Base-Backbone interact. energy: -0.184
local terms energy: -291.317536
where:
bonds (distance) C4'-P energy: -87.576
bonds (distance) P-C4' energy: -81.654
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1790.614122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.614122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.614122 (E_RNA)
where:
Base-Base interactions energy: -1238.855
where: short stacking energy: -553.050
Base-Backbone interact. energy: -2.907
local terms energy: -548.852440
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -91.452
flat angles C4'-P-C4' energy: -111.545
flat angles P-C4'-P energy: -79.626
tors. eta vs tors. theta energy: -173.083
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: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1672.642833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.642833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.642833 (E_RNA)
where:
Base-Base interactions energy: -1149.040
where: short stacking energy: -481.760
Base-Backbone interact. energy: 0.258
local terms energy: -523.861724
where:
bonds (distance) C4'-P energy: -86.450
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -111.448
flat angles P-C4'-P energy: -78.868
tors. eta vs tors. theta energy: -148.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1654.585081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.585081 (E_RNA)
where:
Base-Base interactions energy: -1163.905
where: short stacking energy: -477.254
Base-Backbone interact. energy: 0.101
local terms energy: -490.780827
where:
bonds (distance) C4'-P energy: -83.204
bonds (distance) P-C4' energy: -98.498
flat angles C4'-P-C4' energy: -103.440
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -135.284
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1506.614810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.614810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.614810 (E_RNA)
where:
Base-Base interactions energy: -1050.897
where: short stacking energy: -413.230
Base-Backbone interact. energy: -2.406
local terms energy: -453.311619
where:
bonds (distance) C4'-P energy: -73.852
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -104.201
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -114.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1458.284492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.284492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.284492 (E_RNA)
where:
Base-Base interactions energy: -997.493
where: short stacking energy: -400.925
Base-Backbone interact. energy: -0.384
local terms energy: -460.407378
where:
bonds (distance) C4'-P energy: -84.723
bonds (distance) P-C4' energy: -104.083
flat angles C4'-P-C4' energy: -86.138
flat angles P-C4'-P energy: -68.268
tors. eta vs tors. theta energy: -117.195
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1330.458225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.458225 (E_RNA)
where:
Base-Base interactions energy: -928.808
where: short stacking energy: -371.947
Base-Backbone interact. energy: 0.631
local terms energy: -402.281045
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -78.463
flat angles C4'-P-C4' energy: -83.440
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -96.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1275.736011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.736011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.736011 (E_RNA)
where:
Base-Base interactions energy: -862.437
where: short stacking energy: -374.173
Base-Backbone interact. energy: -2.300
local terms energy: -410.999239
where:
bonds (distance) C4'-P energy: -84.003
bonds (distance) P-C4' energy: -83.889
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: -89.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -972.480222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.480222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.480222 (E_RNA)
where:
Base-Base interactions energy: -610.463
where: short stacking energy: -290.108
Base-Backbone interact. energy: -0.840
local terms energy: -361.177534
where:
bonds (distance) C4'-P energy: -83.884
bonds (distance) P-C4' energy: -83.803
flat angles C4'-P-C4' energy: -85.632
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -618.015637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.015637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.015637 (E_RNA)
where:
Base-Base interactions energy: -301.522
where: short stacking energy: -186.798
Base-Backbone interact. energy: 0.807
local terms energy: -317.300736
where:
bonds (distance) C4'-P energy: -72.625
bonds (distance) P-C4' energy: -91.920
flat angles C4'-P-C4' energy: -91.157
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -14.547
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: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -648.707063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.707063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.707063 (E_RNA)
where:
Base-Base interactions energy: -363.371
where: short stacking energy: -185.782
Base-Backbone interact. energy: -1.519
local terms energy: -283.817110
where:
bonds (distance) C4'-P energy: -75.290
bonds (distance) P-C4' energy: -84.068
flat angles C4'-P-C4' energy: -74.197
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -2.876
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1762.443148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.443148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.443148 (E_RNA)
where:
Base-Base interactions energy: -1211.679
where: short stacking energy: -529.389
Base-Backbone interact. energy: -2.385
local terms energy: -548.379096
where:
bonds (distance) C4'-P energy: -88.816
bonds (distance) P-C4' energy: -104.262
flat angles C4'-P-C4' energy: -116.567
flat angles P-C4'-P energy: -68.585
tors. eta vs tors. theta energy: -170.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1689.410022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.410022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.410022 (E_RNA)
where:
Base-Base interactions energy: -1154.527
where: short stacking energy: -501.547
Base-Backbone interact. energy: -1.331
local terms energy: -533.551368
where:
bonds (distance) C4'-P energy: -94.540
bonds (distance) P-C4' energy: -105.881
flat angles C4'-P-C4' energy: -117.616
flat angles P-C4'-P energy: -73.317
tors. eta vs tors. theta energy: -142.197
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: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1636.618498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.618498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.618498 (E_RNA)
where:
Base-Base interactions energy: -1132.566
where: short stacking energy: -476.761
Base-Backbone interact. energy: -2.973
local terms energy: -501.079441
where:
bonds (distance) C4'-P energy: -94.848
bonds (distance) P-C4' energy: -93.532
flat angles C4'-P-C4' energy: -107.749
flat angles P-C4'-P energy: -68.815
tors. eta vs tors. theta energy: -136.135
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: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1540.394978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.394978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.394978 (E_RNA)
where:
Base-Base interactions energy: -1071.627
where: short stacking energy: -441.262
Base-Backbone interact. energy: 0.001
local terms energy: -468.768409
where:
bonds (distance) C4'-P energy: -93.600
bonds (distance) P-C4' energy: -82.011
flat angles C4'-P-C4' energy: -105.001
flat angles P-C4'-P energy: -62.662
tors. eta vs tors. theta energy: -125.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1465.141011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.141011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.141011 (E_RNA)
where:
Base-Base interactions energy: -1009.176
where: short stacking energy: -410.927
Base-Backbone interact. energy: -3.026
local terms energy: -452.939533
where:
bonds (distance) C4'-P energy: -93.072
bonds (distance) P-C4' energy: -91.466
flat angles C4'-P-C4' energy: -94.471
flat angles P-C4'-P energy: -62.844
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: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1363.143354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.143354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.143354 (E_RNA)
where:
Base-Base interactions energy: -937.443
where: short stacking energy: -376.360
Base-Backbone interact. energy: -1.447
local terms energy: -424.253225
where:
bonds (distance) C4'-P energy: -86.022
bonds (distance) P-C4' energy: -92.473
flat angles C4'-P-C4' energy: -83.109
flat angles P-C4'-P energy: -59.803
tors. eta vs tors. theta energy: -102.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1283.764035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.764035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.764035 (E_RNA)
where:
Base-Base interactions energy: -844.589
where: short stacking energy: -355.666
Base-Backbone interact. energy: -2.554
local terms energy: -436.620936
where:
bonds (distance) C4'-P energy: -90.616
bonds (distance) P-C4' energy: -86.861
flat angles C4'-P-C4' energy: -97.019
flat angles P-C4'-P energy: -67.588
tors. eta vs tors. theta energy: -94.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1051.635162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.635162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.635162 (E_RNA)
where:
Base-Base interactions energy: -676.528
where: short stacking energy: -286.526
Base-Backbone interact. energy: -1.603
local terms energy: -373.504389
where:
bonds (distance) C4'-P energy: -72.659
bonds (distance) P-C4' energy: -97.618
flat angles C4'-P-C4' energy: -88.078
flat angles P-C4'-P energy: -49.982
tors. eta vs tors. theta energy: -65.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -705.058735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.058735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.058735 (E_RNA)
where:
Base-Base interactions energy: -395.446
where: short stacking energy: -213.205
Base-Backbone interact. energy: 4.464
local terms energy: -314.076793
where:
bonds (distance) C4'-P energy: -99.225
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -76.851
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -18.635
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: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -566.156231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.156231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.156231 (E_RNA)
where:
Base-Base interactions energy: -311.018
where: short stacking energy: -167.290
Base-Backbone interact. energy: 15.662
local terms energy: -270.800699
where:
bonds (distance) C4'-P energy: -76.565
bonds (distance) P-C4' energy: -92.560
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -39.399
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1775.257805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.257805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.257805 (E_RNA)
where:
Base-Base interactions energy: -1224.193
where: short stacking energy: -543.339
Base-Backbone interact. energy: -3.146
local terms energy: -547.918789
where:
bonds (distance) C4'-P energy: -98.126
bonds (distance) P-C4' energy: -84.637
flat angles C4'-P-C4' energy: -110.820
flat angles P-C4'-P energy: -83.623
tors. eta vs tors. theta energy: -170.712
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1681.937657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.937657 (E_RNA)
where:
Base-Base interactions energy: -1186.830
where: short stacking energy: -506.683
Base-Backbone interact. energy: -1.292
local terms energy: -493.816076
where:
bonds (distance) C4'-P energy: -90.296
bonds (distance) P-C4' energy: -84.456
flat angles C4'-P-C4' energy: -115.235
flat angles P-C4'-P energy: -64.963
tors. eta vs tors. theta energy: -138.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1644.243300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.243300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.243300 (E_RNA)
where:
Base-Base interactions energy: -1139.362
where: short stacking energy: -483.926
Base-Backbone interact. energy: -1.171
local terms energy: -503.710176
where:
bonds (distance) C4'-P energy: -88.417
bonds (distance) P-C4' energy: -89.309
flat angles C4'-P-C4' energy: -109.458
flat angles P-C4'-P energy: -79.934
tors. eta vs tors. theta energy: -136.593
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: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1568.521058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.521058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.521058 (E_RNA)
where:
Base-Base interactions energy: -1076.506
where: short stacking energy: -460.003
Base-Backbone interact. energy: 4.748
local terms energy: -496.762759
where:
bonds (distance) C4'-P energy: -89.876
bonds (distance) P-C4' energy: -100.601
flat angles C4'-P-C4' energy: -110.922
flat angles P-C4'-P energy: -66.403
tors. eta vs tors. theta energy: -128.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1459.984385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.984385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.984385 (E_RNA)
where:
Base-Base interactions energy: -991.988
where: short stacking energy: -407.854
Base-Backbone interact. energy: -1.370
local terms energy: -466.626318
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -98.247
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -110.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1363.892475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.892475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.892475 (E_RNA)
where:
Base-Base interactions energy: -928.611
where: short stacking energy: -395.986
Base-Backbone interact. energy: 1.359
local terms energy: -436.640544
where:
bonds (distance) C4'-P energy: -88.978
bonds (distance) P-C4' energy: -78.853
flat angles C4'-P-C4' energy: -100.989
flat angles P-C4'-P energy: -63.076
tors. eta vs tors. theta energy: -104.744
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: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1258.909328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.909328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.909328 (E_RNA)
where:
Base-Base interactions energy: -843.297
where: short stacking energy: -371.994
Base-Backbone interact. energy: -0.603
local terms energy: -415.009015
where:
bonds (distance) C4'-P energy: -75.418
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -105.686
flat angles P-C4'-P energy: -57.153
tors. eta vs tors. theta energy: -96.044
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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1047.144094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.144094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.144094 (E_RNA)
where:
Base-Base interactions energy: -668.921
where: short stacking energy: -299.346
Base-Backbone interact. energy: -1.077
local terms energy: -377.146376
where:
bonds (distance) C4'-P energy: -79.294
bonds (distance) P-C4' energy: -88.943
flat angles C4'-P-C4' energy: -95.030
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -58.267
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: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -689.630889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.630889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.630889 (E_RNA)
where:
Base-Base interactions energy: -402.366
where: short stacking energy: -196.191
Base-Backbone interact. energy: 1.218
local terms energy: -288.482420
where:
bonds (distance) C4'-P energy: -90.486
bonds (distance) P-C4' energy: -76.725
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -601.129327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.129327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.129327 (E_RNA)
where:
Base-Base interactions energy: -323.564
where: short stacking energy: -189.441
Base-Backbone interact. energy: -0.800
local terms energy: -276.765196
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -85.789
flat angles C4'-P-C4' energy: -78.726
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1773.601211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.601211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.601211 (E_RNA)
where:
Base-Base interactions energy: -1207.818
where: short stacking energy: -524.230
Base-Backbone interact. energy: -2.534
local terms energy: -563.249814
where:
bonds (distance) C4'-P energy: -106.490
bonds (distance) P-C4' energy: -100.702
flat angles C4'-P-C4' energy: -114.915
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -162.777
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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1661.118924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.118924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.118924 (E_RNA)
where:
Base-Base interactions energy: -1153.744
where: short stacking energy: -485.276
Base-Backbone interact. energy: 0.309
local terms energy: -507.683783
where:
bonds (distance) C4'-P energy: -92.680
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -114.201
flat angles P-C4'-P energy: -67.736
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: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1694.956133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.956133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.956133 (E_RNA)
where:
Base-Base interactions energy: -1174.553
where: short stacking energy: -493.761
Base-Backbone interact. energy: -4.089
local terms energy: -516.314104
where:
bonds (distance) C4'-P energy: -98.824
bonds (distance) P-C4' energy: -90.601
flat angles C4'-P-C4' energy: -111.126
flat angles P-C4'-P energy: -71.755
tors. eta vs tors. theta energy: -144.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1535.893138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.893138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.893138 (E_RNA)
where:
Base-Base interactions energy: -1077.470
where: short stacking energy: -435.944
Base-Backbone interact. energy: -1.042
local terms energy: -457.381378
where:
bonds (distance) C4'-P energy: -83.449
bonds (distance) P-C4' energy: -79.124
flat angles C4'-P-C4' energy: -107.233
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -123.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1469.473128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.473128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.473128 (E_RNA)
where:
Base-Base interactions energy: -1002.735
where: short stacking energy: -433.194
Base-Backbone interact. energy: -1.574
local terms energy: -465.164581
where:
bonds (distance) C4'-P energy: -83.169
bonds (distance) P-C4' energy: -83.008
flat angles C4'-P-C4' energy: -107.625
flat angles P-C4'-P energy: -65.775
tors. eta vs tors. theta energy: -125.587
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: 252
Temperature: 1.150000
Total energy: -1313.518458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.518458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.518458 (E_RNA)
where:
Base-Base interactions energy: -892.062
where: short stacking energy: -379.233
Base-Backbone interact. energy: -0.235
local terms energy: -421.221392
where:
bonds (distance) C4'-P energy: -74.258
bonds (distance) P-C4' energy: -83.138
flat angles C4'-P-C4' energy: -91.266
flat angles P-C4'-P energy: -61.864
tors. eta vs tors. theta energy: -110.695
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: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1304.669966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.669966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.669966 (E_RNA)
where:
Base-Base interactions energy: -892.709
where: short stacking energy: -397.316
Base-Backbone interact. energy: -0.151
local terms energy: -411.809814
where:
bonds (distance) C4'-P energy: -70.261
bonds (distance) P-C4' energy: -85.682
flat angles C4'-P-C4' energy: -99.138
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -104.776
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -998.986638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.986638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.986638 (E_RNA)
where:
Base-Base interactions energy: -651.015
where: short stacking energy: -289.727
Base-Backbone interact. energy: 0.616
local terms energy: -348.587522
where:
bonds (distance) C4'-P energy: -80.688
bonds (distance) P-C4' energy: -82.720
flat angles C4'-P-C4' energy: -78.062
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -63.732
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: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -695.783126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.783126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.783126 (E_RNA)
where:
Base-Base interactions energy: -383.471
where: short stacking energy: -228.778
Base-Backbone interact. energy: -1.889
local terms energy: -310.423449
where:
bonds (distance) C4'-P energy: -80.538
bonds (distance) P-C4' energy: -78.232
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: -28.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -602.398527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.398527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.398527 (E_RNA)
where:
Base-Base interactions energy: -332.762
where: short stacking energy: -173.951
Base-Backbone interact. energy: -1.935
local terms energy: -267.700933
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -68.590
flat angles P-C4'-P energy: -33.382
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1784.937479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.937479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.937479 (E_RNA)
where:
Base-Base interactions energy: -1232.048
where: short stacking energy: -535.257
Base-Backbone interact. energy: 0.735
local terms energy: -553.624328
where:
bonds (distance) C4'-P energy: -101.367
bonds (distance) P-C4' energy: -99.486
flat angles C4'-P-C4' energy: -111.498
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -169.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1646.450573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.450573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.450573 (E_RNA)
where:
Base-Base interactions energy: -1131.490
where: short stacking energy: -495.162
Base-Backbone interact. energy: -0.879
local terms energy: -514.081261
where:
bonds (distance) C4'-P energy: -103.642
bonds (distance) P-C4' energy: -101.938
flat angles C4'-P-C4' energy: -104.512
flat angles P-C4'-P energy: -59.997
tors. eta vs tors. theta energy: -143.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1666.886287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.886287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.886287 (E_RNA)
where:
Base-Base interactions energy: -1153.511
where: short stacking energy: -489.445
Base-Backbone interact. energy: -1.629
local terms energy: -511.746251
where:
bonds (distance) C4'-P energy: -94.522
bonds (distance) P-C4' energy: -94.926
flat angles C4'-P-C4' energy: -111.778
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -139.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1554.852920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.852920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.852920 (E_RNA)
where:
Base-Base interactions energy: -1075.540
where: short stacking energy: -434.857
Base-Backbone interact. energy: -2.645
local terms energy: -476.668139
where:
bonds (distance) C4'-P energy: -96.741
bonds (distance) P-C4' energy: -97.426
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -59.552
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: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1467.562959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.562959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.562959 (E_RNA)
where:
Base-Base interactions energy: -997.622
where: short stacking energy: -420.751
Base-Backbone interact. energy: -0.703
local terms energy: -469.238499
where:
bonds (distance) C4'-P energy: -79.023
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -103.663
flat angles P-C4'-P energy: -67.236
tors. eta vs tors. theta energy: -119.154
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1393.015387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.015387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.015387 (E_RNA)
where:
Base-Base interactions energy: -944.047
where: short stacking energy: -409.786
Base-Backbone interact. energy: -0.275
local terms energy: -448.693756
where:
bonds (distance) C4'-P energy: -75.651
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -100.318
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -116.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1313.285836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.285836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.285836 (E_RNA)
where:
Base-Base interactions energy: -873.908
where: short stacking energy: -396.436
Base-Backbone interact. energy: -0.368
local terms energy: -439.008881
where:
bonds (distance) C4'-P energy: -84.145
bonds (distance) P-C4' energy: -84.722
flat angles C4'-P-C4' energy: -96.663
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -113.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1032.561220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.561220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.561220 (E_RNA)
where:
Base-Base interactions energy: -648.955
where: short stacking energy: -295.332
Base-Backbone interact. energy: -2.800
local terms energy: -380.806190
where:
bonds (distance) C4'-P energy: -77.005
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -84.588
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -74.137
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -702.875177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.875177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.875177 (E_RNA)
where:
Base-Base interactions energy: -371.671
where: short stacking energy: -191.912
Base-Backbone interact. energy: -0.940
local terms energy: -330.264141
where:
bonds (distance) C4'-P energy: -73.416
bonds (distance) P-C4' energy: -91.772
flat angles C4'-P-C4' energy: -83.713
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -20.691
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: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -611.637221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.637221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.637221 (E_RNA)
where:
Base-Base interactions energy: -353.061
where: short stacking energy: -183.781
Base-Backbone interact. energy: 1.611
local terms energy: -260.187521
where:
bonds (distance) C4'-P energy: -78.810
bonds (distance) P-C4' energy: -62.388
flat angles C4'-P-C4' energy: -67.950
flat angles P-C4'-P energy: -58.465
tors. eta vs tors. theta energy: 7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1787.346886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.346886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.346886 (E_RNA)
where:
Base-Base interactions energy: -1212.617
where: short stacking energy: -553.557
Base-Backbone interact. energy: -2.705
local terms energy: -572.025065
where:
bonds (distance) C4'-P energy: -105.709
bonds (distance) P-C4' energy: -101.248
flat angles C4'-P-C4' energy: -110.201
flat angles P-C4'-P energy: -77.411
tors. eta vs tors. theta energy: -177.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1681.758334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.758334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.758334 (E_RNA)
where:
Base-Base interactions energy: -1159.049
where: short stacking energy: -506.120
Base-Backbone interact. energy: -2.162
local terms energy: -520.547426
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -108.165
flat angles C4'-P-C4' energy: -110.643
flat angles P-C4'-P energy: -63.906
tors. eta vs tors. theta energy: -145.565
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1672.179495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.179495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.179495 (E_RNA)
where:
Base-Base interactions energy: -1155.718
where: short stacking energy: -469.656
Base-Backbone interact. energy: 0.192
local terms energy: -516.654295
where:
bonds (distance) C4'-P energy: -79.166
bonds (distance) P-C4' energy: -97.134
flat angles C4'-P-C4' energy: -107.532
flat angles P-C4'-P energy: -88.579
tors. eta vs tors. theta energy: -144.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1558.568019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.568019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.568019 (E_RNA)
where:
Base-Base interactions energy: -1076.823
where: short stacking energy: -458.972
Base-Backbone interact. energy: -1.416
local terms energy: -480.328315
where:
bonds (distance) C4'-P energy: -86.731
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -65.776
tors. eta vs tors. theta energy: -136.859
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: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1514.238480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.238480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.238480 (E_RNA)
where:
Base-Base interactions energy: -1041.564
where: short stacking energy: -453.854
Base-Backbone interact. energy: -0.646
local terms energy: -472.029136
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -94.656
flat angles C4'-P-C4' energy: -96.599
flat angles P-C4'-P energy: -60.793
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: 254
Temperature: 1.150000
Total energy: -1368.524783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.524783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.524783 (E_RNA)
where:
Base-Base interactions energy: -929.910
where: short stacking energy: -388.152
Base-Backbone interact. energy: -1.158
local terms energy: -437.456016
where:
bonds (distance) C4'-P energy: -92.331
bonds (distance) P-C4' energy: -76.235
flat angles C4'-P-C4' energy: -90.019
flat angles P-C4'-P energy: -61.116
tors. eta vs tors. theta energy: -117.756
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: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1298.595719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.595719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.595719 (E_RNA)
where:
Base-Base interactions energy: -868.109
where: short stacking energy: -373.738
Base-Backbone interact. energy: 3.520
local terms energy: -434.007149
where:
bonds (distance) C4'-P energy: -91.006
bonds (distance) P-C4' energy: -81.248
flat angles C4'-P-C4' energy: -88.915
flat angles P-C4'-P energy: -65.871
tors. eta vs tors. theta energy: -106.968
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: 254
Temperature: 1.250000
Total energy: -1096.025410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.025410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.025410 (E_RNA)
where:
Base-Base interactions energy: -742.665
where: short stacking energy: -303.872
Base-Backbone interact. energy: 0.407
local terms energy: -353.767875
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -78.966
flat angles C4'-P-C4' energy: -79.099
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -71.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -677.201758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.201758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.201758 (E_RNA)
where:
Base-Base interactions energy: -373.266
where: short stacking energy: -188.463
Base-Backbone interact. energy: 0.959
local terms energy: -304.894617
where:
bonds (distance) C4'-P energy: -76.189
bonds (distance) P-C4' energy: -88.353
flat angles C4'-P-C4' energy: -65.217
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -16.000
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: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -649.292635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.292635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.292635 (E_RNA)
where:
Base-Base interactions energy: -366.181
where: short stacking energy: -191.297
Base-Backbone interact. energy: -0.508
local terms energy: -282.604280
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -60.602
tors. eta vs tors. theta energy: -1.429
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: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1773.303057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.303057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.303057 (E_RNA)
where:
Base-Base interactions energy: -1204.923
where: short stacking energy: -540.418
Base-Backbone interact. energy: -2.392
local terms energy: -565.988252
where:
bonds (distance) C4'-P energy: -99.691
bonds (distance) P-C4' energy: -108.635
flat angles C4'-P-C4' energy: -114.772
flat angles P-C4'-P energy: -77.652
tors. eta vs tors. theta energy: -165.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1664.472089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.472089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.472089 (E_RNA)
where:
Base-Base interactions energy: -1151.792
where: short stacking energy: -510.089
Base-Backbone interact. energy: -1.404
local terms energy: -511.275764
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -92.519
flat angles C4'-P-C4' energy: -112.672
flat angles P-C4'-P energy: -67.313
tors. eta vs tors. theta energy: -147.062
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: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1662.486660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.486660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.486660 (E_RNA)
where:
Base-Base interactions energy: -1187.565
where: short stacking energy: -479.000
Base-Backbone interact. energy: 1.116
local terms energy: -476.037532
where:
bonds (distance) C4'-P energy: -88.831
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -93.112
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -135.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1577.730284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.730284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.730284 (E_RNA)
where:
Base-Base interactions energy: -1107.060
where: short stacking energy: -466.948
Base-Backbone interact. energy: -1.743
local terms energy: -468.927521
where:
bonds (distance) C4'-P energy: -87.479
bonds (distance) P-C4' energy: -91.694
flat angles C4'-P-C4' energy: -101.594
flat angles P-C4'-P energy: -61.124
tors. eta vs tors. theta energy: -127.036
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1468.457593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.457593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.457593 (E_RNA)
where:
Base-Base interactions energy: -999.229
where: short stacking energy: -440.700
Base-Backbone interact. energy: -0.623
local terms energy: -468.605673
where:
bonds (distance) C4'-P energy: -83.102
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -104.492
flat angles P-C4'-P energy: -59.998
tors. eta vs tors. theta energy: -125.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1349.912496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.912496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.912496 (E_RNA)
where:
Base-Base interactions energy: -933.660
where: short stacking energy: -374.976
Base-Backbone interact. energy: -1.550
local terms energy: -414.702046
where:
bonds (distance) C4'-P energy: -90.157
bonds (distance) P-C4' energy: -82.500
flat angles C4'-P-C4' energy: -90.213
flat angles P-C4'-P energy: -61.242
tors. eta vs tors. theta energy: -90.590
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: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1322.389729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.389729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.389729 (E_RNA)
where:
Base-Base interactions energy: -901.885
where: short stacking energy: -387.143
Base-Backbone interact. energy: -1.254
local terms energy: -419.250694
where:
bonds (distance) C4'-P energy: -78.800
bonds (distance) P-C4' energy: -79.791
flat angles C4'-P-C4' energy: -89.915
flat angles P-C4'-P energy: -68.355
tors. eta vs tors. theta energy: -102.389
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: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1060.962397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.962397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.962397 (E_RNA)
where:
Base-Base interactions energy: -697.144
where: short stacking energy: -304.254
Base-Backbone interact. energy: 5.666
local terms energy: -369.484550
where:
bonds (distance) C4'-P energy: -79.840
bonds (distance) P-C4' energy: -88.233
flat angles C4'-P-C4' energy: -85.515
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: -67.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -668.735986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.735986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.735986 (E_RNA)
where:
Base-Base interactions energy: -375.034
where: short stacking energy: -189.127
Base-Backbone interact. energy: 1.778
local terms energy: -295.480573
where:
bonds (distance) C4'-P energy: -82.806
bonds (distance) P-C4' energy: -86.225
flat angles C4'-P-C4' energy: -74.159
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -9.395
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: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -721.854853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.854853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.854853 (E_RNA)
where:
Base-Base interactions energy: -414.795
where: short stacking energy: -222.472
Base-Backbone interact. energy: 1.771
local terms energy: -308.830771
where:
bonds (distance) C4'-P energy: -72.941
bonds (distance) P-C4' energy: -84.818
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1776.829780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.829780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.829780 (E_RNA)
where:
Base-Base interactions energy: -1217.570
where: short stacking energy: -554.212
Base-Backbone interact. energy: -2.437
local terms energy: -556.823462
where:
bonds (distance) C4'-P energy: -88.201
bonds (distance) P-C4' energy: -103.449
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -76.008
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1686.695751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.695751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.695751 (E_RNA)
where:
Base-Base interactions energy: -1167.486
where: short stacking energy: -476.137
Base-Backbone interact. energy: -2.184
local terms energy: -517.025483
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -114.760
flat angles P-C4'-P energy: -70.557
tors. eta vs tors. theta energy: -142.389
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: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1666.175152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.175152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.175152 (E_RNA)
where:
Base-Base interactions energy: -1166.080
where: short stacking energy: -480.014
Base-Backbone interact. energy: -1.969
local terms energy: -498.126792
where:
bonds (distance) C4'-P energy: -89.602
bonds (distance) P-C4' energy: -87.951
flat angles C4'-P-C4' energy: -105.105
flat angles P-C4'-P energy: -83.843
tors. eta vs tors. theta energy: -131.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1543.302431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.302431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.302431 (E_RNA)
where:
Base-Base interactions energy: -1059.008
where: short stacking energy: -462.693
Base-Backbone interact. energy: -0.436
local terms energy: -483.858721
where:
bonds (distance) C4'-P energy: -91.474
bonds (distance) P-C4' energy: -87.024
flat angles C4'-P-C4' energy: -109.018
flat angles P-C4'-P energy: -72.135
tors. eta vs tors. theta energy: -124.208
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: 256
Temperature: 1.100000
Total energy: -1469.249343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.249343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.249343 (E_RNA)
where:
Base-Base interactions energy: -997.624
where: short stacking energy: -413.457
Base-Backbone interact. energy: -3.162
local terms energy: -468.462870
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -105.871
flat angles C4'-P-C4' energy: -95.399
flat angles P-C4'-P energy: -58.402
tors. eta vs tors. theta energy: -108.488
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: 256
Temperature: 1.150000
Total energy: -1334.724952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.724952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.724952 (E_RNA)
where:
Base-Base interactions energy: -907.768
where: short stacking energy: -399.751
Base-Backbone interact. energy: -2.128
local terms energy: -424.828830
where:
bonds (distance) C4'-P energy: -85.923
bonds (distance) P-C4' energy: -81.820
flat angles C4'-P-C4' energy: -96.271
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -110.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1270.710129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.710129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.710129 (E_RNA)
where:
Base-Base interactions energy: -836.471
where: short stacking energy: -363.727
Base-Backbone interact. energy: 2.617
local terms energy: -436.856493
where:
bonds (distance) C4'-P energy: -92.787
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -103.259
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -108.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1074.232155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.232155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.232155 (E_RNA)
where:
Base-Base interactions energy: -703.284
where: short stacking energy: -312.958
Base-Backbone interact. energy: 3.140
local terms energy: -374.088339
where:
bonds (distance) C4'-P energy: -87.028
bonds (distance) P-C4' energy: -81.278
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -72.523
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -718.142289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.142289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.142289 (E_RNA)
where:
Base-Base interactions energy: -410.544
where: short stacking energy: -197.409
Base-Backbone interact. energy: 0.209
local terms energy: -307.807096
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -80.458
flat angles C4'-P-C4' energy: -75.364
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -37.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -657.468977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.468977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.468977 (E_RNA)
where:
Base-Base interactions energy: -369.997
where: short stacking energy: -194.771
Base-Backbone interact. energy: 2.801
local terms energy: -290.272707
where:
bonds (distance) C4'-P energy: -77.080
bonds (distance) P-C4' energy: -76.845
flat angles C4'-P-C4' energy: -74.990
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1798.084128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.084128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.084128 (E_RNA)
where:
Base-Base interactions energy: -1241.899
where: short stacking energy: -540.928
Base-Backbone interact. energy: -2.070
local terms energy: -554.115525
where:
bonds (distance) C4'-P energy: -92.620
bonds (distance) P-C4' energy: -100.082
flat angles C4'-P-C4' energy: -112.825
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -170.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1678.531014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.531014 (E_RNA)
where:
Base-Base interactions energy: -1162.156
where: short stacking energy: -501.432
Base-Backbone interact. energy: -1.462
local terms energy: -514.912392
where:
bonds (distance) C4'-P energy: -84.724
bonds (distance) P-C4' energy: -92.498
flat angles C4'-P-C4' energy: -111.820
flat angles P-C4'-P energy: -84.790
tors. eta vs tors. theta energy: -141.080
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: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1618.334026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.334026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.334026 (E_RNA)
where:
Base-Base interactions energy: -1130.507
where: short stacking energy: -489.808
Base-Backbone interact. energy: -2.941
local terms energy: -484.885614
where:
bonds (distance) C4'-P energy: -85.456
bonds (distance) P-C4' energy: -78.083
flat angles C4'-P-C4' energy: -108.924
flat angles P-C4'-P energy: -76.028
tors. eta vs tors. theta energy: -136.394
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1556.165885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.165885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.165885 (E_RNA)
where:
Base-Base interactions energy: -1083.454
where: short stacking energy: -432.981
Base-Backbone interact. energy: -3.540
local terms energy: -469.171892
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -86.819
flat angles C4'-P-C4' energy: -101.858
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -115.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1473.356846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.356846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.356846 (E_RNA)
where:
Base-Base interactions energy: -997.530
where: short stacking energy: -421.505
Base-Backbone interact. energy: -1.970
local terms energy: -473.857123
where:
bonds (distance) C4'-P energy: -81.898
bonds (distance) P-C4' energy: -97.736
flat angles C4'-P-C4' energy: -114.341
flat angles P-C4'-P energy: -60.106
tors. eta vs tors. theta energy: -119.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1284.678180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.678180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.678180 (E_RNA)
where:
Base-Base interactions energy: -860.909
where: short stacking energy: -377.514
Base-Backbone interact. energy: -1.236
local terms energy: -422.533190
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -80.921
flat angles C4'-P-C4' energy: -90.664
flat angles P-C4'-P energy: -77.051
tors. eta vs tors. theta energy: -97.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1292.404076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.404076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.404076 (E_RNA)
where:
Base-Base interactions energy: -880.859
where: short stacking energy: -379.426
Base-Backbone interact. energy: 0.609
local terms energy: -412.154641
where:
bonds (distance) C4'-P energy: -78.611
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -87.129
flat angles P-C4'-P energy: -50.389
tors. eta vs tors. theta energy: -107.371
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: 257
Temperature: 1.250000
Total energy: -1058.914300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.914300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.914300 (E_RNA)
where:
Base-Base interactions energy: -671.969
where: short stacking energy: -309.032
Base-Backbone interact. energy: -3.903
local terms energy: -383.041940
where:
bonds (distance) C4'-P energy: -74.586
bonds (distance) P-C4' energy: -87.048
flat angles C4'-P-C4' energy: -90.153
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -71.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -688.037511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.037511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.037511 (E_RNA)
where:
Base-Base interactions energy: -368.676
where: short stacking energy: -196.721
Base-Backbone interact. energy: -0.753
local terms energy: -318.607836
where:
bonds (distance) C4'-P energy: -85.480
bonds (distance) P-C4' energy: -79.783
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -641.313074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.313074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.313074 (E_RNA)
where:
Base-Base interactions energy: -365.742
where: short stacking energy: -204.469
Base-Backbone interact. energy: 2.095
local terms energy: -277.666479
where:
bonds (distance) C4'-P energy: -73.072
bonds (distance) P-C4' energy: -79.135
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -27.943
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: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1806.055304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.055304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.055304 (E_RNA)
where:
Base-Base interactions energy: -1255.740
where: short stacking energy: -546.782
Base-Backbone interact. energy: -2.395
local terms energy: -547.919572
where:
bonds (distance) C4'-P energy: -100.039
bonds (distance) P-C4' energy: -96.382
flat angles C4'-P-C4' energy: -104.476
flat angles P-C4'-P energy: -78.975
tors. eta vs tors. theta energy: -168.047
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: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1695.892985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.892985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.892985 (E_RNA)
where:
Base-Base interactions energy: -1172.029
where: short stacking energy: -511.992
Base-Backbone interact. energy: -2.201
local terms energy: -521.663310
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -112.724
flat angles P-C4'-P energy: -79.658
tors. eta vs tors. theta energy: -146.431
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: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1616.613500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.613500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.613500 (E_RNA)
where:
Base-Base interactions energy: -1126.788
where: short stacking energy: -472.449
Base-Backbone interact. energy: -0.511
local terms energy: -489.314243
where:
bonds (distance) C4'-P energy: -88.933
bonds (distance) P-C4' energy: -99.541
flat angles C4'-P-C4' energy: -107.602
flat angles P-C4'-P energy: -63.250
tors. eta vs tors. theta energy: -129.989
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: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1544.997059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.997059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.997059 (E_RNA)
where:
Base-Base interactions energy: -1080.079
where: short stacking energy: -444.180
Base-Backbone interact. energy: 3.814
local terms energy: -468.732553
where:
bonds (distance) C4'-P energy: -85.647
bonds (distance) P-C4' energy: -92.445
flat angles C4'-P-C4' energy: -101.168
flat angles P-C4'-P energy: -59.095
tors. eta vs tors. theta energy: -130.378
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: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1482.564958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.564958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.564958 (E_RNA)
where:
Base-Base interactions energy: -1008.380
where: short stacking energy: -430.329
Base-Backbone interact. energy: -0.755
local terms energy: -473.429874
where:
bonds (distance) C4'-P energy: -87.190
bonds (distance) P-C4' energy: -92.107
flat angles C4'-P-C4' energy: -107.295
flat angles P-C4'-P energy: -67.895
tors. eta vs tors. theta energy: -118.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1325.141185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.141185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.141185 (E_RNA)
where:
Base-Base interactions energy: -901.614
where: short stacking energy: -405.906
Base-Backbone interact. energy: 0.246
local terms energy: -423.773640
where:
bonds (distance) C4'-P energy: -80.191
bonds (distance) P-C4' energy: -83.060
flat angles C4'-P-C4' energy: -92.039
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -112.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1260.214620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.214620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.214620 (E_RNA)
where:
Base-Base interactions energy: -844.265
where: short stacking energy: -370.722
Base-Backbone interact. energy: -0.078
local terms energy: -415.871580
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -88.827
flat angles C4'-P-C4' energy: -97.677
flat angles P-C4'-P energy: -68.889
tors. eta vs tors. theta energy: -100.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1028.439917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.439917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.439917 (E_RNA)
where:
Base-Base interactions energy: -669.554
where: short stacking energy: -308.361
Base-Backbone interact. energy: -1.161
local terms energy: -357.724604
where:
bonds (distance) C4'-P energy: -68.033
bonds (distance) P-C4' energy: -83.318
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -50.704
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -665.885491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.885491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.885491 (E_RNA)
where:
Base-Base interactions energy: -370.989
where: short stacking energy: -215.509
Base-Backbone interact. energy: -0.430
local terms energy: -294.466787
where:
bonds (distance) C4'-P energy: -74.366
bonds (distance) P-C4' energy: -91.691
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -676.934338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.934338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.934338 (E_RNA)
where:
Base-Base interactions energy: -381.753
where: short stacking energy: -191.515
Base-Backbone interact. energy: -1.676
local terms energy: -293.505100
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -90.312
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1803.223740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.223740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.223740 (E_RNA)
where:
Base-Base interactions energy: -1252.705
where: short stacking energy: -539.599
Base-Backbone interact. energy: -2.553
local terms energy: -547.965715
where:
bonds (distance) C4'-P energy: -90.124
bonds (distance) P-C4' energy: -88.920
flat angles C4'-P-C4' energy: -119.364
flat angles P-C4'-P energy: -80.675
tors. eta vs tors. theta energy: -168.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1701.413258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.413258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.413258 (E_RNA)
where:
Base-Base interactions energy: -1177.639
where: short stacking energy: -496.083
Base-Backbone interact. energy: -1.825
local terms energy: -521.949625
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -97.116
flat angles C4'-P-C4' energy: -112.232
flat angles P-C4'-P energy: -82.578
tors. eta vs tors. theta energy: -140.954
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: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1617.731171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.731171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.731171 (E_RNA)
where:
Base-Base interactions energy: -1138.505
where: short stacking energy: -486.541
Base-Backbone interact. energy: -0.919
local terms energy: -478.306780
where:
bonds (distance) C4'-P energy: -78.233
bonds (distance) P-C4' energy: -95.361
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -70.500
tors. eta vs tors. theta energy: -128.414
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: 259
Temperature: 1.050000
Total energy: -1524.446979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.446979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.446979 (E_RNA)
where:
Base-Base interactions energy: -1056.813
where: short stacking energy: -448.610
Base-Backbone interact. energy: 2.468
local terms energy: -470.102077
where:
bonds (distance) C4'-P energy: -89.943
bonds (distance) P-C4' energy: -89.777
flat angles C4'-P-C4' energy: -94.543
flat angles P-C4'-P energy: -63.605
tors. eta vs tors. theta energy: -132.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1472.652539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.652539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.652539 (E_RNA)
where:
Base-Base interactions energy: -1002.733
where: short stacking energy: -428.297
Base-Backbone interact. energy: -0.822
local terms energy: -469.097632
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -80.548
flat angles C4'-P-C4' energy: -94.611
flat angles P-C4'-P energy: -64.741
tors. eta vs tors. theta energy: -129.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1330.158600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.158600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.158600 (E_RNA)
where:
Base-Base interactions energy: -881.712
where: short stacking energy: -396.694
Base-Backbone interact. energy: 0.805
local terms energy: -449.251835
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -100.529
flat angles C4'-P-C4' energy: -86.932
flat angles P-C4'-P energy: -60.063
tors. eta vs tors. theta energy: -109.807
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: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1301.999897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.999897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.999897 (E_RNA)
where:
Base-Base interactions energy: -869.240
where: short stacking energy: -392.916
Base-Backbone interact. energy: -2.401
local terms energy: -430.359528
where:
bonds (distance) C4'-P energy: -74.773
bonds (distance) P-C4' energy: -92.652
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -98.007
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: 259
Temperature: 1.250000
Total energy: -1018.840118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.840118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.840118 (E_RNA)
where:
Base-Base interactions energy: -661.366
where: short stacking energy: -307.720
Base-Backbone interact. energy: -2.953
local terms energy: -354.521226
where:
bonds (distance) C4'-P energy: -69.204
bonds (distance) P-C4' energy: -84.328
flat angles C4'-P-C4' energy: -76.307
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -754.751663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.751663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.751663 (E_RNA)
where:
Base-Base interactions energy: -436.453
where: short stacking energy: -252.821
Base-Backbone interact. energy: 3.040
local terms energy: -321.338562
where:
bonds (distance) C4'-P energy: -78.427
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -83.988
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -40.030
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -602.502411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.502411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.502411 (E_RNA)
where:
Base-Base interactions energy: -340.219
where: short stacking energy: -168.848
Base-Backbone interact. energy: -0.769
local terms energy: -261.514313
where:
bonds (distance) C4'-P energy: -69.397
bonds (distance) P-C4' energy: -58.986
flat angles C4'-P-C4' energy: -83.731
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -5.317
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: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1781.298194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.298194 (E_RNA)
where:
Base-Base interactions energy: -1232.378
where: short stacking energy: -540.906
Base-Backbone interact. energy: 0.477
local terms energy: -549.397168
where:
bonds (distance) C4'-P energy: -90.844
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -112.382
flat angles P-C4'-P energy: -71.913
tors. eta vs tors. theta energy: -166.203
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1714.200432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.200432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.200432 (E_RNA)
where:
Base-Base interactions energy: -1191.628
where: short stacking energy: -515.133
Base-Backbone interact. energy: -1.183
local terms energy: -521.389485
where:
bonds (distance) C4'-P energy: -98.284
bonds (distance) P-C4' energy: -98.800
flat angles C4'-P-C4' energy: -106.472
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -142.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1632.028433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.028433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.028433 (E_RNA)
where:
Base-Base interactions energy: -1146.928
where: short stacking energy: -478.212
Base-Backbone interact. energy: -3.567
local terms energy: -481.533651
where:
bonds (distance) C4'-P energy: -85.695
bonds (distance) P-C4' energy: -87.835
flat angles C4'-P-C4' energy: -103.756
flat angles P-C4'-P energy: -67.914
tors. eta vs tors. theta energy: -136.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1528.808532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.808532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.808532 (E_RNA)
where:
Base-Base interactions energy: -1049.339
where: short stacking energy: -444.341
Base-Backbone interact. energy: -2.697
local terms energy: -476.772668
where:
bonds (distance) C4'-P energy: -88.556
bonds (distance) P-C4' energy: -88.578
flat angles C4'-P-C4' energy: -112.123
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -129.683
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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1454.462555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.462555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.462555 (E_RNA)
where:
Base-Base interactions energy: -1015.302
where: short stacking energy: -415.640
Base-Backbone interact. energy: 1.359
local terms energy: -440.519747
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -86.525
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -60.245
tors. eta vs tors. theta energy: -115.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1324.100168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.100168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.100168 (E_RNA)
where:
Base-Base interactions energy: -898.273
where: short stacking energy: -384.394
Base-Backbone interact. energy: 2.684
local terms energy: -428.510710
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -87.557
flat angles C4'-P-C4' energy: -97.212
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -99.634
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: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1311.770188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.770188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.770188 (E_RNA)
where:
Base-Base interactions energy: -885.695
where: short stacking energy: -359.940
Base-Backbone interact. energy: -1.628
local terms energy: -424.447081
where:
bonds (distance) C4'-P energy: -81.265
bonds (distance) P-C4' energy: -91.008
flat angles C4'-P-C4' energy: -86.134
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -100.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1020.447121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.447121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.447121 (E_RNA)
where:
Base-Base interactions energy: -633.428
where: short stacking energy: -294.228
Base-Backbone interact. energy: -1.044
local terms energy: -385.975240
where:
bonds (distance) C4'-P energy: -92.736
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -64.748
tors. eta vs tors. theta energy: -56.368
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: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -717.274238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.274238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.274238 (E_RNA)
where:
Base-Base interactions energy: -399.945
where: short stacking energy: -210.311
Base-Backbone interact. energy: 1.317
local terms energy: -318.646534
where:
bonds (distance) C4'-P energy: -74.435
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -17.203
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: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -565.917949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.917949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.917949 (E_RNA)
where:
Base-Base interactions energy: -281.824
where: short stacking energy: -161.267
Base-Backbone interact. energy: -1.427
local terms energy: -282.666718
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -77.453
flat angles C4'-P-C4' energy: -76.919
flat angles P-C4'-P energy: -51.979
tors. eta vs tors. theta energy: -4.137
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1776.749959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.749959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.749959 (E_RNA)
where:
Base-Base interactions energy: -1217.254
where: short stacking energy: -548.571
Base-Backbone interact. energy: -0.201
local terms energy: -559.295085
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -96.217
flat angles C4'-P-C4' energy: -116.060
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -172.419
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: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1695.647913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.647913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.647913 (E_RNA)
where:
Base-Base interactions energy: -1180.240
where: short stacking energy: -489.745
Base-Backbone interact. energy: -4.034
local terms energy: -511.373471
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -106.213
flat angles C4'-P-C4' energy: -110.038
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -144.248
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1654.479645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.479645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.479645 (E_RNA)
where:
Base-Base interactions energy: -1140.666
where: short stacking energy: -499.057
Base-Backbone interact. energy: -2.312
local terms energy: -511.501448
where:
bonds (distance) C4'-P energy: -97.958
bonds (distance) P-C4' energy: -87.899
flat angles C4'-P-C4' energy: -106.653
flat angles P-C4'-P energy: -77.010
tors. eta vs tors. theta energy: -141.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1494.771535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.771535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.771535 (E_RNA)
where:
Base-Base interactions energy: -997.437
where: short stacking energy: -418.629
Base-Backbone interact. energy: -0.615
local terms energy: -496.719173
where:
bonds (distance) C4'-P energy: -88.345
bonds (distance) P-C4' energy: -104.624
flat angles C4'-P-C4' energy: -98.740
flat angles P-C4'-P energy: -75.485
tors. eta vs tors. theta energy: -129.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1507.935983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.935983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.935983 (E_RNA)
where:
Base-Base interactions energy: -1040.768
where: short stacking energy: -429.481
Base-Backbone interact. energy: -2.778
local terms energy: -464.390248
where:
bonds (distance) C4'-P energy: -83.549
bonds (distance) P-C4' energy: -93.726
flat angles C4'-P-C4' energy: -102.299
flat angles P-C4'-P energy: -57.274
tors. eta vs tors. theta energy: -127.542
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: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1370.062228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.062228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.062228 (E_RNA)
where:
Base-Base interactions energy: -935.121
where: short stacking energy: -401.684
Base-Backbone interact. energy: -1.246
local terms energy: -433.695658
where:
bonds (distance) C4'-P energy: -79.965
bonds (distance) P-C4' energy: -92.000
flat angles C4'-P-C4' energy: -96.800
flat angles P-C4'-P energy: -57.509
tors. eta vs tors. theta energy: -107.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1256.203874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.203874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.203874 (E_RNA)
where:
Base-Base interactions energy: -840.239
where: short stacking energy: -369.208
Base-Backbone interact. energy: -2.710
local terms energy: -413.254800
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -94.057
flat angles C4'-P-C4' energy: -97.843
flat angles P-C4'-P energy: -49.240
tors. eta vs tors. theta energy: -87.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -960.097018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.097018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.097018 (E_RNA)
where:
Base-Base interactions energy: -610.356
where: short stacking energy: -273.406
Base-Backbone interact. energy: -1.189
local terms energy: -348.552763
where:
bonds (distance) C4'-P energy: -65.781
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -72.647
flat angles P-C4'-P energy: -64.911
tors. eta vs tors. theta energy: -46.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -686.918337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.918337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.918337 (E_RNA)
where:
Base-Base interactions energy: -392.933
where: short stacking energy: -217.527
Base-Backbone interact. energy: -0.296
local terms energy: -293.689173
where:
bonds (distance) C4'-P energy: -83.281
bonds (distance) P-C4' energy: -58.660
flat angles C4'-P-C4' energy: -79.388
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -591.841013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.841013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.841013 (E_RNA)
where:
Base-Base interactions energy: -290.560
where: short stacking energy: -158.590
Base-Backbone interact. energy: 4.909
local terms energy: -306.189925
where:
bonds (distance) C4'-P energy: -85.343
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -76.710
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: -11.193
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: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1795.111354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.111354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.111354 (E_RNA)
where:
Base-Base interactions energy: -1259.024
where: short stacking energy: -552.330
Base-Backbone interact. energy: -0.942
local terms energy: -535.144782
where:
bonds (distance) C4'-P energy: -91.804
bonds (distance) P-C4' energy: -84.569
flat angles C4'-P-C4' energy: -114.008
flat angles P-C4'-P energy: -73.120
tors. eta vs tors. theta energy: -171.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1727.666103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.666103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.666103 (E_RNA)
where:
Base-Base interactions energy: -1208.101
where: short stacking energy: -507.581
Base-Backbone interact. energy: -4.079
local terms energy: -515.486268
where:
bonds (distance) C4'-P energy: -82.238
bonds (distance) P-C4' energy: -94.089
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -82.757
tors. eta vs tors. theta energy: -139.685
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: 262
Temperature: 1.000000
Total energy: -1623.540954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.540954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.540954 (E_RNA)
where:
Base-Base interactions energy: -1135.724
where: short stacking energy: -493.253
Base-Backbone interact. energy: -0.299
local terms energy: -487.517759
where:
bonds (distance) C4'-P energy: -101.879
bonds (distance) P-C4' energy: -76.666
flat angles C4'-P-C4' energy: -112.669
flat angles P-C4'-P energy: -61.015
tors. eta vs tors. theta energy: -135.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1483.892712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.892712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.892712 (E_RNA)
where:
Base-Base interactions energy: -1004.256
where: short stacking energy: -440.223
Base-Backbone interact. energy: -1.630
local terms energy: -478.007121
where:
bonds (distance) C4'-P energy: -97.439
bonds (distance) P-C4' energy: -89.313
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -65.198
tors. eta vs tors. theta energy: -124.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1465.946611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.946611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.946611 (E_RNA)
where:
Base-Base interactions energy: -1002.726
where: short stacking energy: -410.570
Base-Backbone interact. energy: -2.119
local terms energy: -461.101471
where:
bonds (distance) C4'-P energy: -68.836
bonds (distance) P-C4' energy: -96.004
flat angles C4'-P-C4' energy: -107.243
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: -124.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1357.478079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.478079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.478079 (E_RNA)
where:
Base-Base interactions energy: -921.076
where: short stacking energy: -386.689
Base-Backbone interact. energy: -0.025
local terms energy: -436.376556
where:
bonds (distance) C4'-P energy: -70.909
bonds (distance) P-C4' energy: -97.252
flat angles C4'-P-C4' energy: -104.432
flat angles P-C4'-P energy: -50.722
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1249.598142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.598142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.598142 (E_RNA)
where:
Base-Base interactions energy: -831.310
where: short stacking energy: -367.909
Base-Backbone interact. energy: -2.349
local terms energy: -415.938818
where:
bonds (distance) C4'-P energy: -81.437
bonds (distance) P-C4' energy: -81.184
flat angles C4'-P-C4' energy: -106.397
flat angles P-C4'-P energy: -61.918
tors. eta vs tors. theta energy: -85.003
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: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -953.226743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.226743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.226743 (E_RNA)
where:
Base-Base interactions energy: -564.964
where: short stacking energy: -269.062
Base-Backbone interact. energy: -0.806
local terms energy: -387.457104
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -88.394
flat angles C4'-P-C4' energy: -73.021
flat angles P-C4'-P energy: -69.614
tors. eta vs tors. theta energy: -66.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -758.018480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.018480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.018480 (E_RNA)
where:
Base-Base interactions energy: -421.950
where: short stacking energy: -198.704
Base-Backbone interact. energy: -0.472
local terms energy: -335.596912
where:
bonds (distance) C4'-P energy: -86.864
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -85.114
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -32.552
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -631.897129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.897129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.897129 (E_RNA)
where:
Base-Base interactions energy: -376.821
where: short stacking energy: -183.755
Base-Backbone interact. energy: 0.405
local terms energy: -255.481109
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -76.296
flat angles C4'-P-C4' energy: -72.689
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -8.500
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: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1793.407370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.407370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.407370 (E_RNA)
where:
Base-Base interactions energy: -1218.516
where: short stacking energy: -545.796
Base-Backbone interact. energy: -5.116
local terms energy: -569.776109
where:
bonds (distance) C4'-P energy: -104.188
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -118.217
flat angles P-C4'-P energy: -65.629
tors. eta vs tors. theta energy: -177.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1730.767831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.767831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.767831 (E_RNA)
where:
Base-Base interactions energy: -1221.871
where: short stacking energy: -502.663
Base-Backbone interact. energy: -0.312
local terms energy: -508.585286
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -86.714
flat angles C4'-P-C4' energy: -111.172
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -147.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1624.692276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.692276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.692276 (E_RNA)
where:
Base-Base interactions energy: -1121.103
where: short stacking energy: -495.116
Base-Backbone interact. energy: -0.997
local terms energy: -502.591443
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -87.912
flat angles C4'-P-C4' energy: -115.674
flat angles P-C4'-P energy: -69.725
tors. eta vs tors. theta energy: -143.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1533.743496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.743496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.743496 (E_RNA)
where:
Base-Base interactions energy: -1043.508
where: short stacking energy: -470.823
Base-Backbone interact. energy: -1.833
local terms energy: -488.402416
where:
bonds (distance) C4'-P energy: -87.105
bonds (distance) P-C4' energy: -88.711
flat angles C4'-P-C4' energy: -101.766
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -142.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1452.605342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.605342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.605342 (E_RNA)
where:
Base-Base interactions energy: -1009.144
where: short stacking energy: -402.491
Base-Backbone interact. energy: -1.317
local terms energy: -442.144037
where:
bonds (distance) C4'-P energy: -89.888
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -88.163
flat angles P-C4'-P energy: -70.309
tors. eta vs tors. theta energy: -105.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1377.495913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.495913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.495913 (E_RNA)
where:
Base-Base interactions energy: -943.778
where: short stacking energy: -419.441
Base-Backbone interact. energy: 0.550
local terms energy: -434.268029
where:
bonds (distance) C4'-P energy: -75.581
bonds (distance) P-C4' energy: -96.917
flat angles C4'-P-C4' energy: -93.489
flat angles P-C4'-P energy: -57.054
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: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1267.467176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.467176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.467176 (E_RNA)
where:
Base-Base interactions energy: -850.145
where: short stacking energy: -370.243
Base-Backbone interact. energy: -1.138
local terms energy: -416.183351
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -76.788
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -57.735
tors. eta vs tors. theta energy: -95.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -955.851077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.851077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.851077 (E_RNA)
where:
Base-Base interactions energy: -605.057
where: short stacking energy: -301.288
Base-Backbone interact. energy: -1.542
local terms energy: -349.252682
where:
bonds (distance) C4'-P energy: -72.904
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -87.922
flat angles P-C4'-P energy: -51.858
tors. eta vs tors. theta energy: -52.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -803.505682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.505682 (E_RNA)
where:
Base-Base interactions energy: -492.149
where: short stacking energy: -238.203
Base-Backbone interact. energy: -2.720
local terms energy: -308.636591
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -71.119
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -591.811229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.811229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.811229 (E_RNA)
where:
Base-Base interactions energy: -306.058
where: short stacking energy: -174.978
Base-Backbone interact. energy: -1.106
local terms energy: -284.647427
where:
bonds (distance) C4'-P energy: -86.014
bonds (distance) P-C4' energy: -79.317
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1774.195260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.195260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.195260 (E_RNA)
where:
Base-Base interactions energy: -1208.219
where: short stacking energy: -548.251
Base-Backbone interact. energy: -1.300
local terms energy: -564.676681
where:
bonds (distance) C4'-P energy: -86.903
bonds (distance) P-C4' energy: -101.185
flat angles C4'-P-C4' energy: -115.123
flat angles P-C4'-P energy: -83.676
tors. eta vs tors. theta energy: -177.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1719.042589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.042589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.042589 (E_RNA)
where:
Base-Base interactions energy: -1215.162
where: short stacking energy: -505.006
Base-Backbone interact. energy: -3.227
local terms energy: -500.653505
where:
bonds (distance) C4'-P energy: -92.115
bonds (distance) P-C4' energy: -92.098
flat angles C4'-P-C4' energy: -107.872
flat angles P-C4'-P energy: -65.902
tors. eta vs tors. theta energy: -142.667
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1641.147105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.147105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.147105 (E_RNA)
where:
Base-Base interactions energy: -1151.067
where: short stacking energy: -487.139
Base-Backbone interact. energy: -1.210
local terms energy: -488.869808
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -81.469
flat angles C4'-P-C4' energy: -104.972
flat angles P-C4'-P energy: -61.510
tors. eta vs tors. theta energy: -139.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1536.708593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.708593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.708593 (E_RNA)
where:
Base-Base interactions energy: -1047.535
where: short stacking energy: -456.913
Base-Backbone interact. energy: -1.861
local terms energy: -487.312225
where:
bonds (distance) C4'-P energy: -70.572
bonds (distance) P-C4' energy: -96.524
flat angles C4'-P-C4' energy: -106.247
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -138.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1471.034863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.034863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.034863 (E_RNA)
where:
Base-Base interactions energy: -1030.537
where: short stacking energy: -438.143
Base-Backbone interact. energy: 1.933
local terms energy: -442.430779
where:
bonds (distance) C4'-P energy: -83.692
bonds (distance) P-C4' energy: -83.350
flat angles C4'-P-C4' energy: -93.996
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -118.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1381.867553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.867553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.867553 (E_RNA)
where:
Base-Base interactions energy: -987.062
where: short stacking energy: -417.183
Base-Backbone interact. energy: 5.242
local terms energy: -400.047439
where:
bonds (distance) C4'-P energy: -72.978
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -90.847
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -103.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1281.106357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.106357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.106357 (E_RNA)
where:
Base-Base interactions energy: -892.334
where: short stacking energy: -377.063
Base-Backbone interact. energy: -0.270
local terms energy: -388.502786
where:
bonds (distance) C4'-P energy: -75.734
bonds (distance) P-C4' energy: -81.342
flat angles C4'-P-C4' energy: -75.274
flat angles P-C4'-P energy: -57.417
tors. eta vs tors. theta energy: -98.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -909.369974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.369974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.369974 (E_RNA)
where:
Base-Base interactions energy: -564.706
where: short stacking energy: -254.107
Base-Backbone interact. energy: -2.149
local terms energy: -342.515314
where:
bonds (distance) C4'-P energy: -89.370
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: -44.772
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: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -856.350975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.350975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.350975 (E_RNA)
where:
Base-Base interactions energy: -510.025
where: short stacking energy: -267.834
Base-Backbone interact. energy: -2.205
local terms energy: -344.120593
where:
bonds (distance) C4'-P energy: -87.934
bonds (distance) P-C4' energy: -91.401
flat angles C4'-P-C4' energy: -85.899
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -41.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -592.418475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.418475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.418475 (E_RNA)
where:
Base-Base interactions energy: -299.313
where: short stacking energy: -157.872
Base-Backbone interact. energy: -1.760
local terms energy: -291.345312
where:
bonds (distance) C4'-P energy: -92.470
bonds (distance) P-C4' energy: -69.675
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -53.575
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: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1774.972750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.972750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.972750 (E_RNA)
where:
Base-Base interactions energy: -1223.814
where: short stacking energy: -531.137
Base-Backbone interact. energy: -1.318
local terms energy: -549.839994
where:
bonds (distance) C4'-P energy: -98.273
bonds (distance) P-C4' energy: -97.121
flat angles C4'-P-C4' energy: -111.704
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -172.333
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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1733.135128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.135128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.135128 (E_RNA)
where:
Base-Base interactions energy: -1248.320
where: short stacking energy: -484.743
Base-Backbone interact. energy: 0.206
local terms energy: -485.021401
where:
bonds (distance) C4'-P energy: -81.557
bonds (distance) P-C4' energy: -89.281
flat angles C4'-P-C4' energy: -108.816
flat angles P-C4'-P energy: -71.785
tors. eta vs tors. theta energy: -133.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1655.992075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.992075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.992075 (E_RNA)
where:
Base-Base interactions energy: -1154.806
where: short stacking energy: -470.088
Base-Backbone interact. energy: 1.669
local terms energy: -502.855289
where:
bonds (distance) C4'-P energy: -87.012
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -113.485
flat angles P-C4'-P energy: -64.914
tors. eta vs tors. theta energy: -139.235
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: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1534.218382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.218382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.218382 (E_RNA)
where:
Base-Base interactions energy: -1049.826
where: short stacking energy: -441.616
Base-Backbone interact. energy: -1.598
local terms energy: -482.794618
where:
bonds (distance) C4'-P energy: -90.099
bonds (distance) P-C4' energy: -92.712
flat angles C4'-P-C4' energy: -97.428
flat angles P-C4'-P energy: -72.314
tors. eta vs tors. theta energy: -130.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1498.806484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.806484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.806484 (E_RNA)
where:
Base-Base interactions energy: -1064.680
where: short stacking energy: -435.647
Base-Backbone interact. energy: -3.391
local terms energy: -430.735879
where:
bonds (distance) C4'-P energy: -75.420
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -89.532
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -124.354
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1383.459593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.459593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.459593 (E_RNA)
where:
Base-Base interactions energy: -946.945
where: short stacking energy: -415.320
Base-Backbone interact. energy: 0.941
local terms energy: -437.455481
where:
bonds (distance) C4'-P energy: -84.364
bonds (distance) P-C4' energy: -89.437
flat angles C4'-P-C4' energy: -94.288
flat angles P-C4'-P energy: -51.541
tors. eta vs tors. theta energy: -117.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1267.097300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.097300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.097300 (E_RNA)
where:
Base-Base interactions energy: -852.639
where: short stacking energy: -379.430
Base-Backbone interact. energy: -2.642
local terms energy: -411.816549
where:
bonds (distance) C4'-P energy: -76.856
bonds (distance) P-C4' energy: -82.520
flat angles C4'-P-C4' energy: -86.426
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -99.249
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: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -921.111503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.111503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.111503 (E_RNA)
where:
Base-Base interactions energy: -549.290
where: short stacking energy: -271.932
Base-Backbone interact. energy: -1.035
local terms energy: -370.785994
where:
bonds (distance) C4'-P energy: -76.447
bonds (distance) P-C4' energy: -100.693
flat angles C4'-P-C4' energy: -82.096
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -58.841
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: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -791.556826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.556826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.556826 (E_RNA)
where:
Base-Base interactions energy: -467.520
where: short stacking energy: -209.489
Base-Backbone interact. energy: -0.984
local terms energy: -323.053136
where:
bonds (distance) C4'-P energy: -86.825
bonds (distance) P-C4' energy: -84.843
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -597.010046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.010046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.010046 (E_RNA)
where:
Base-Base interactions energy: -318.564
where: short stacking energy: -176.919
Base-Backbone interact. energy: 0.131
local terms energy: -278.576620
where:
bonds (distance) C4'-P energy: -76.243
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -0.972
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1786.290285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.290285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.290285 (E_RNA)
where:
Base-Base interactions energy: -1214.357
where: short stacking energy: -535.543
Base-Backbone interact. energy: -1.144
local terms energy: -570.788415
where:
bonds (distance) C4'-P energy: -94.939
bonds (distance) P-C4' energy: -93.564
flat angles C4'-P-C4' energy: -120.676
flat angles P-C4'-P energy: -91.769
tors. eta vs tors. theta energy: -169.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1745.615003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.615003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.615003 (E_RNA)
where:
Base-Base interactions energy: -1219.422
where: short stacking energy: -498.985
Base-Backbone interact. energy: -0.268
local terms energy: -525.925888
where:
bonds (distance) C4'-P energy: -92.160
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -75.149
tors. eta vs tors. theta energy: -149.842
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1639.590006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.590006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.590006 (E_RNA)
where:
Base-Base interactions energy: -1135.666
where: short stacking energy: -472.570
Base-Backbone interact. energy: 1.252
local terms energy: -505.176325
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -95.830
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -70.731
tors. eta vs tors. theta energy: -129.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1562.938312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.938312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.938312 (E_RNA)
where:
Base-Base interactions energy: -1064.381
where: short stacking energy: -466.183
Base-Backbone interact. energy: 0.215
local terms energy: -498.772735
where:
bonds (distance) C4'-P energy: -81.554
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -99.329
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -146.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1503.514106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.514106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.514106 (E_RNA)
where:
Base-Base interactions energy: -1055.723
where: short stacking energy: -436.206
Base-Backbone interact. energy: -1.983
local terms energy: -445.808419
where:
bonds (distance) C4'-P energy: -82.608
bonds (distance) P-C4' energy: -86.078
flat angles C4'-P-C4' energy: -82.896
flat angles P-C4'-P energy: -60.657
tors. eta vs tors. theta energy: -133.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1392.287470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.287470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.287470 (E_RNA)
where:
Base-Base interactions energy: -952.611
where: short stacking energy: -384.798
Base-Backbone interact. energy: -1.854
local terms energy: -437.822725
where:
bonds (distance) C4'-P energy: -84.952
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -94.635
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -98.156
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1248.735280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.735280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.735280 (E_RNA)
where:
Base-Base interactions energy: -855.449
where: short stacking energy: -360.713
Base-Backbone interact. energy: 1.644
local terms energy: -394.930067
where:
bonds (distance) C4'-P energy: -73.891
bonds (distance) P-C4' energy: -91.238
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -91.820
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: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -892.392270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.392270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.392270 (E_RNA)
where:
Base-Base interactions energy: -570.239
where: short stacking energy: -255.098
Base-Backbone interact. energy: 0.628
local terms energy: -322.780980
where:
bonds (distance) C4'-P energy: -78.464
bonds (distance) P-C4' energy: -72.159
flat angles C4'-P-C4' energy: -82.458
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -37.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -794.556183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.556183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.556183 (E_RNA)
where:
Base-Base interactions energy: -468.268
where: short stacking energy: -225.165
Base-Backbone interact. energy: 0.042
local terms energy: -326.329584
where:
bonds (distance) C4'-P energy: -86.545
bonds (distance) P-C4' energy: -88.393
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -40.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -618.426962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.426962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.426962 (E_RNA)
where:
Base-Base interactions energy: -363.030
where: short stacking energy: -185.280
Base-Backbone interact. energy: -2.156
local terms energy: -253.241055
where:
bonds (distance) C4'-P energy: -67.844
bonds (distance) P-C4' energy: -71.403
flat angles C4'-P-C4' energy: -73.934
flat angles P-C4'-P energy: -49.874
tors. eta vs tors. theta energy: 9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1773.970179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.970179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.970179 (E_RNA)
where:
Base-Base interactions energy: -1223.279
where: short stacking energy: -549.412
Base-Backbone interact. energy: -0.139
local terms energy: -550.551804
where:
bonds (distance) C4'-P energy: -92.865
bonds (distance) P-C4' energy: -89.513
flat angles C4'-P-C4' energy: -118.933
flat angles P-C4'-P energy: -82.649
tors. eta vs tors. theta energy: -166.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1656.038939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.038939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.038939 (E_RNA)
where:
Base-Base interactions energy: -1166.123
where: short stacking energy: -493.083
Base-Backbone interact. energy: -2.128
local terms energy: -487.787693
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -70.509
tors. eta vs tors. theta energy: -132.915
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: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1718.892964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.892964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.892964 (E_RNA)
where:
Base-Base interactions energy: -1217.252
where: short stacking energy: -498.042
Base-Backbone interact. energy: -2.313
local terms energy: -499.327890
where:
bonds (distance) C4'-P energy: -84.574
bonds (distance) P-C4' energy: -95.080
flat angles C4'-P-C4' energy: -104.495
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -136.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1534.144623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.144623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.144623 (E_RNA)
where:
Base-Base interactions energy: -1046.248
where: short stacking energy: -488.902
Base-Backbone interact. energy: -0.834
local terms energy: -487.062914
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -88.363
flat angles C4'-P-C4' energy: -110.088
flat angles P-C4'-P energy: -58.614
tors. eta vs tors. theta energy: -141.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1498.957341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.957341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.957341 (E_RNA)
where:
Base-Base interactions energy: -1039.627
where: short stacking energy: -420.540
Base-Backbone interact. energy: -3.948
local terms energy: -455.382472
where:
bonds (distance) C4'-P energy: -75.456
bonds (distance) P-C4' energy: -96.961
flat angles C4'-P-C4' energy: -104.180
flat angles P-C4'-P energy: -67.481
tors. eta vs tors. theta energy: -111.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1410.420636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.420636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.420636 (E_RNA)
where:
Base-Base interactions energy: -973.026
where: short stacking energy: -436.779
Base-Backbone interact. energy: -0.183
local terms energy: -437.211919
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -84.515
flat angles C4'-P-C4' energy: -105.406
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -114.792
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: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1207.375096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.375096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.375096 (E_RNA)
where:
Base-Base interactions energy: -799.851
where: short stacking energy: -341.727
Base-Backbone interact. energy: 2.203
local terms energy: -409.726533
where:
bonds (distance) C4'-P energy: -83.197
bonds (distance) P-C4' energy: -93.600
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -85.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -902.653509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.653509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.653509 (E_RNA)
where:
Base-Base interactions energy: -581.305
where: short stacking energy: -254.970
Base-Backbone interact. energy: 0.187
local terms energy: -321.535834
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -70.234
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -40.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -830.231639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.231639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.231639 (E_RNA)
where:
Base-Base interactions energy: -488.320
where: short stacking energy: -251.404
Base-Backbone interact. energy: 2.808
local terms energy: -344.719711
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -85.542
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -52.795
tors. eta vs tors. theta energy: -54.012
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -632.254743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.254743 (E_RNA)
where:
Base-Base interactions energy: -340.049
where: short stacking energy: -191.092
Base-Backbone interact. energy: -2.685
local terms energy: -289.519910
where:
bonds (distance) C4'-P energy: -78.994
bonds (distance) P-C4' energy: -85.805
flat angles C4'-P-C4' energy: -78.544
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1768.907586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.907586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.907586 (E_RNA)
where:
Base-Base interactions energy: -1215.778
where: short stacking energy: -563.910
Base-Backbone interact. energy: -1.353
local terms energy: -551.776127
where:
bonds (distance) C4'-P energy: -90.226
bonds (distance) P-C4' energy: -97.320
flat angles C4'-P-C4' energy: -113.579
flat angles P-C4'-P energy: -80.765
tors. eta vs tors. theta energy: -169.886
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: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1644.020208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.020208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.020208 (E_RNA)
where:
Base-Base interactions energy: -1132.765
where: short stacking energy: -486.738
Base-Backbone interact. energy: -0.948
local terms energy: -510.307195
where:
bonds (distance) C4'-P energy: -97.765
bonds (distance) P-C4' energy: -95.885
flat angles C4'-P-C4' energy: -111.204
flat angles P-C4'-P energy: -76.368
tors. eta vs tors. theta energy: -129.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1700.688557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.688557 (E_RNA)
where:
Base-Base interactions energy: -1192.847
where: short stacking energy: -480.151
Base-Backbone interact. energy: -3.145
local terms energy: -504.696010
where:
bonds (distance) C4'-P energy: -96.896
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -104.805
flat angles P-C4'-P energy: -69.543
tors. eta vs tors. theta energy: -138.323
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: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1517.448709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.448709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.448709 (E_RNA)
where:
Base-Base interactions energy: -1059.705
where: short stacking energy: -470.259
Base-Backbone interact. energy: -0.729
local terms energy: -457.014671
where:
bonds (distance) C4'-P energy: -76.928
bonds (distance) P-C4' energy: -80.061
flat angles C4'-P-C4' energy: -99.343
flat angles P-C4'-P energy: -69.936
tors. eta vs tors. theta energy: -130.746
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: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1437.016054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.016054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.016054 (E_RNA)
where:
Base-Base interactions energy: -976.901
where: short stacking energy: -398.762
Base-Backbone interact. energy: -2.066
local terms energy: -458.048651
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -91.768
flat angles P-C4'-P energy: -66.707
tors. eta vs tors. theta energy: -106.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1390.468121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.468121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.468121 (E_RNA)
where:
Base-Base interactions energy: -943.244
where: short stacking energy: -388.334
Base-Backbone interact. energy: -2.265
local terms energy: -444.958735
where:
bonds (distance) C4'-P energy: -90.902
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -97.941
flat angles P-C4'-P energy: -70.626
tors. eta vs tors. theta energy: -103.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1197.983829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.983829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.983829 (E_RNA)
where:
Base-Base interactions energy: -778.578
where: short stacking energy: -332.424
Base-Backbone interact. energy: -1.334
local terms energy: -418.071704
where:
bonds (distance) C4'-P energy: -84.615
bonds (distance) P-C4' energy: -97.760
flat angles C4'-P-C4' energy: -97.691
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -77.962
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: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -914.713311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.713311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.713311 (E_RNA)
where:
Base-Base interactions energy: -578.388
where: short stacking energy: -263.600
Base-Backbone interact. energy: 1.213
local terms energy: -337.538512
where:
bonds (distance) C4'-P energy: -70.977
bonds (distance) P-C4' energy: -78.222
flat angles C4'-P-C4' energy: -80.619
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -51.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -779.860269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.860269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.860269 (E_RNA)
where:
Base-Base interactions energy: -466.557
where: short stacking energy: -237.004
Base-Backbone interact. energy: 0.270
local terms energy: -313.572767
where:
bonds (distance) C4'-P energy: -78.271
bonds (distance) P-C4' energy: -78.139
flat angles C4'-P-C4' energy: -77.808
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -30.525
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -616.164129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.164129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.164129 (E_RNA)
where:
Base-Base interactions energy: -358.137
where: short stacking energy: -215.936
Base-Backbone interact. energy: 0.287
local terms energy: -258.313699
where:
bonds (distance) C4'-P energy: -72.919
bonds (distance) P-C4' energy: -74.131
flat angles C4'-P-C4' energy: -59.992
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1773.942466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.942466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.942466 (E_RNA)
where:
Base-Base interactions energy: -1222.572
where: short stacking energy: -557.235
Base-Backbone interact. energy: -0.384
local terms energy: -550.987123
where:
bonds (distance) C4'-P energy: -95.228
bonds (distance) P-C4' energy: -100.858
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -78.889
tors. eta vs tors. theta energy: -168.582
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1765.483945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.483945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.483945 (E_RNA)
where:
Base-Base interactions energy: -1237.758
where: short stacking energy: -514.591
Base-Backbone interact. energy: -4.101
local terms energy: -523.625706
where:
bonds (distance) C4'-P energy: -88.827
bonds (distance) P-C4' energy: -100.312
flat angles C4'-P-C4' energy: -112.277
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -147.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1640.732255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.732255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.732255 (E_RNA)
where:
Base-Base interactions energy: -1134.214
where: short stacking energy: -481.265
Base-Backbone interact. energy: 0.228
local terms energy: -506.746370
where:
bonds (distance) C4'-P energy: -92.431
bonds (distance) P-C4' energy: -100.925
flat angles C4'-P-C4' energy: -105.469
flat angles P-C4'-P energy: -66.971
tors. eta vs tors. theta energy: -140.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1569.152162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.152162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.152162 (E_RNA)
where:
Base-Base interactions energy: -1064.262
where: short stacking energy: -480.649
Base-Backbone interact. energy: -0.563
local terms energy: -504.327626
where:
bonds (distance) C4'-P energy: -81.345
bonds (distance) P-C4' energy: -94.782
flat angles C4'-P-C4' energy: -109.539
flat angles P-C4'-P energy: -74.880
tors. eta vs tors. theta energy: -143.782
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: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1469.539267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.539267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.539267 (E_RNA)
where:
Base-Base interactions energy: -1021.975
where: short stacking energy: -398.786
Base-Backbone interact. energy: -1.420
local terms energy: -446.144073
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -101.298
flat angles P-C4'-P energy: -50.209
tors. eta vs tors. theta energy: -107.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1413.865179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.865179 (E_RNA)
where:
Base-Base interactions energy: -981.226
where: short stacking energy: -406.631
Base-Backbone interact. energy: -2.639
local terms energy: -429.999700
where:
bonds (distance) C4'-P energy: -92.868
bonds (distance) P-C4' energy: -83.174
flat angles C4'-P-C4' energy: -88.095
flat angles P-C4'-P energy: -62.295
tors. eta vs tors. theta energy: -103.568
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1251.693748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.693748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.693748 (E_RNA)
where:
Base-Base interactions energy: -858.244
where: short stacking energy: -371.931
Base-Backbone interact. energy: -3.329
local terms energy: -390.121154
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -82.921
flat angles C4'-P-C4' energy: -93.181
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: -78.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -960.676494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.676494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.676494 (E_RNA)
where:
Base-Base interactions energy: -611.475
where: short stacking energy: -283.595
Base-Backbone interact. energy: -0.989
local terms energy: -348.212881
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -79.439
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -48.387
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: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -844.459327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.459327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.459327 (E_RNA)
where:
Base-Base interactions energy: -509.463
where: short stacking energy: -245.997
Base-Backbone interact. energy: 0.906
local terms energy: -335.902792
where:
bonds (distance) C4'-P energy: -70.833
bonds (distance) P-C4' energy: -74.616
flat angles C4'-P-C4' energy: -84.829
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -58.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -600.400560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.400560 (E_RNA)
where:
Base-Base interactions energy: -314.563
where: short stacking energy: -181.995
Base-Backbone interact. energy: 0.451
local terms energy: -286.288516
where:
bonds (distance) C4'-P energy: -61.479
bonds (distance) P-C4' energy: -74.248
flat angles C4'-P-C4' energy: -76.060
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -13.400
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: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1806.663603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.663603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.663603 (E_RNA)
where:
Base-Base interactions energy: -1257.465
where: short stacking energy: -519.333
Base-Backbone interact. energy: -1.879
local terms energy: -547.319401
where:
bonds (distance) C4'-P energy: -95.968
bonds (distance) P-C4' energy: -103.948
flat angles C4'-P-C4' energy: -114.241
flat angles P-C4'-P energy: -81.063
tors. eta vs tors. theta energy: -152.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1746.461622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.461622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.461622 (E_RNA)
where:
Base-Base interactions energy: -1190.107
where: short stacking energy: -548.694
Base-Backbone interact. energy: -1.523
local terms energy: -554.831797
where:
bonds (distance) C4'-P energy: -94.662
bonds (distance) P-C4' energy: -106.108
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -76.669
tors. eta vs tors. theta energy: -167.600
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1636.952909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.952909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.952909 (E_RNA)
where:
Base-Base interactions energy: -1115.754
where: short stacking energy: -468.541
Base-Backbone interact. energy: -3.172
local terms energy: -518.025999
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -100.780
flat angles C4'-P-C4' energy: -108.700
flat angles P-C4'-P energy: -74.001
tors. eta vs tors. theta energy: -137.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1555.857019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.857019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.857019 (E_RNA)
where:
Base-Base interactions energy: -1069.112
where: short stacking energy: -454.754
Base-Backbone interact. energy: 2.194
local terms energy: -488.939319
where:
bonds (distance) C4'-P energy: -98.465
bonds (distance) P-C4' energy: -92.070
flat angles C4'-P-C4' energy: -106.211
flat angles P-C4'-P energy: -63.158
tors. eta vs tors. theta energy: -129.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1436.868012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.868012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.868012 (E_RNA)
where:
Base-Base interactions energy: -997.535
where: short stacking energy: -410.301
Base-Backbone interact. energy: -4.641
local terms energy: -434.692153
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -77.718
flat angles C4'-P-C4' energy: -101.280
flat angles P-C4'-P energy: -68.369
tors. eta vs tors. theta energy: -106.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1384.464445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.464445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.464445 (E_RNA)
where:
Base-Base interactions energy: -963.699
where: short stacking energy: -380.486
Base-Backbone interact. energy: 3.015
local terms energy: -423.779832
where:
bonds (distance) C4'-P energy: -85.178
bonds (distance) P-C4' energy: -80.287
flat angles C4'-P-C4' energy: -92.482
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -105.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1255.510527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.510527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.510527 (E_RNA)
where:
Base-Base interactions energy: -860.148
where: short stacking energy: -371.190
Base-Backbone interact. energy: -0.107
local terms energy: -395.255370
where:
bonds (distance) C4'-P energy: -85.703
bonds (distance) P-C4' energy: -75.895
flat angles C4'-P-C4' energy: -89.421
flat angles P-C4'-P energy: -47.768
tors. eta vs tors. theta energy: -96.469
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: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -970.279428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.279428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.279428 (E_RNA)
where:
Base-Base interactions energy: -612.479
where: short stacking energy: -275.747
Base-Backbone interact. energy: -0.476
local terms energy: -357.325042
where:
bonds (distance) C4'-P energy: -92.666
bonds (distance) P-C4' energy: -79.088
flat angles C4'-P-C4' energy: -89.173
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -48.170
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: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -855.827520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.827520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.827520 (E_RNA)
where:
Base-Base interactions energy: -501.384
where: short stacking energy: -231.116
Base-Backbone interact. energy: -1.477
local terms energy: -352.966402
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -85.720
flat angles C4'-P-C4' energy: -89.467
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -50.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -630.959881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.959881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.959881 (E_RNA)
where:
Base-Base interactions energy: -353.596
where: short stacking energy: -214.097
Base-Backbone interact. energy: 0.806
local terms energy: -278.168987
where:
bonds (distance) C4'-P energy: -79.185
bonds (distance) P-C4' energy: -77.376
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -40.849
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1790.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.003588 (E_RNA)
where:
Base-Base interactions energy: -1277.614
where: short stacking energy: -525.844
Base-Backbone interact. energy: -3.185
local terms energy: -509.204608
where:
bonds (distance) C4'-P energy: -92.038
bonds (distance) P-C4' energy: -95.301
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -138.111
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: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1750.037032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.037032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.037032 (E_RNA)
where:
Base-Base interactions energy: -1205.056
where: short stacking energy: -539.527
Base-Backbone interact. energy: 0.001
local terms energy: -544.982701
where:
bonds (distance) C4'-P energy: -100.295
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -105.000
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -164.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1598.049026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.049026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.049026 (E_RNA)
where:
Base-Base interactions energy: -1099.350
where: short stacking energy: -468.980
Base-Backbone interact. energy: 1.891
local terms energy: -500.589710
where:
bonds (distance) C4'-P energy: -92.752
bonds (distance) P-C4' energy: -99.410
flat angles C4'-P-C4' energy: -106.494
flat angles P-C4'-P energy: -69.221
tors. eta vs tors. theta energy: -132.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1526.488296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.488296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.488296 (E_RNA)
where:
Base-Base interactions energy: -1066.699
where: short stacking energy: -455.642
Base-Backbone interact. energy: -1.342
local terms energy: -458.446578
where:
bonds (distance) C4'-P energy: -84.409
bonds (distance) P-C4' energy: -79.600
flat angles C4'-P-C4' energy: -102.512
flat angles P-C4'-P energy: -66.220
tors. eta vs tors. theta energy: -125.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1496.093092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.093092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.093092 (E_RNA)
where:
Base-Base interactions energy: -1034.907
where: short stacking energy: -445.985
Base-Backbone interact. energy: 4.296
local terms energy: -465.481962
where:
bonds (distance) C4'-P energy: -100.808
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -100.101
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -117.679
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: 271
Temperature: 1.150000
Total energy: -1409.871517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.871517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.871517 (E_RNA)
where:
Base-Base interactions energy: -971.823
where: short stacking energy: -398.839
Base-Backbone interact. energy: -2.423
local terms energy: -435.625197
where:
bonds (distance) C4'-P energy: -84.625
bonds (distance) P-C4' energy: -89.265
flat angles C4'-P-C4' energy: -94.464
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: -100.800
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: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1293.918594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.918594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.918594 (E_RNA)
where:
Base-Base interactions energy: -886.580
where: short stacking energy: -371.790
Base-Backbone interact. energy: 2.877
local terms energy: -410.216154
where:
bonds (distance) C4'-P energy: -82.101
bonds (distance) P-C4' energy: -88.949
flat angles C4'-P-C4' energy: -95.403
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: -94.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -899.936328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.936328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.936328 (E_RNA)
where:
Base-Base interactions energy: -551.976
where: short stacking energy: -264.133
Base-Backbone interact. energy: -1.719
local terms energy: -346.240593
where:
bonds (distance) C4'-P energy: -77.885
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -88.946
flat angles P-C4'-P energy: -43.318
tors. eta vs tors. theta energy: -52.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -815.956657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.956657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.956657 (E_RNA)
where:
Base-Base interactions energy: -493.526
where: short stacking energy: -238.574
Base-Backbone interact. energy: -0.063
local terms energy: -322.367838
where:
bonds (distance) C4'-P energy: -91.072
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -36.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -579.352424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.352424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.352424 (E_RNA)
where:
Base-Base interactions energy: -287.806
where: short stacking energy: -151.776
Base-Backbone interact. energy: 1.878
local terms energy: -293.424221
where:
bonds (distance) C4'-P energy: -86.013
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -87.977
flat angles P-C4'-P energy: -38.012
tors. eta vs tors. theta energy: -7.265
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: 272
Temperature: 0.900000
Total energy: -1766.819444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.819444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.819444 (E_RNA)
where:
Base-Base interactions energy: -1236.960
where: short stacking energy: -503.021
Base-Backbone interact. energy: -2.657
local terms energy: -527.202331
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -101.444
flat angles C4'-P-C4' energy: -104.924
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -149.384
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: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1729.043200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.043200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.043200 (E_RNA)
where:
Base-Base interactions energy: -1190.130
where: short stacking energy: -527.978
Base-Backbone interact. energy: -1.492
local terms energy: -537.421711
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -97.620
flat angles C4'-P-C4' energy: -106.882
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: -164.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1612.984765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.984765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.984765 (E_RNA)
where:
Base-Base interactions energy: -1109.968
where: short stacking energy: -459.882
Base-Backbone interact. energy: 2.777
local terms energy: -505.793571
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -92.680
flat angles C4'-P-C4' energy: -112.419
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -126.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1542.977890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.977890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.977890 (E_RNA)
where:
Base-Base interactions energy: -1051.788
where: short stacking energy: -473.832
Base-Backbone interact. energy: 0.459
local terms energy: -491.649126
where:
bonds (distance) C4'-P energy: -76.866
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -108.319
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -136.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1474.725320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.725320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.725320 (E_RNA)
where:
Base-Base interactions energy: -991.743
where: short stacking energy: -420.423
Base-Backbone interact. energy: 1.589
local terms energy: -484.570762
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -98.715
flat angles C4'-P-C4' energy: -111.374
flat angles P-C4'-P energy: -70.384
tors. eta vs tors. theta energy: -118.792
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: 272
Temperature: 1.150000
Total energy: -1395.501514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.501514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.501514 (E_RNA)
where:
Base-Base interactions energy: -964.854
where: short stacking energy: -414.958
Base-Backbone interact. energy: -3.842
local terms energy: -426.805298
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -95.225
flat angles P-C4'-P energy: -63.477
tors. eta vs tors. theta energy: -110.119
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1236.495577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.495577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.495577 (E_RNA)
where:
Base-Base interactions energy: -866.601
where: short stacking energy: -388.037
Base-Backbone interact. energy: 1.005
local terms energy: -370.899394
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -78.663
flat angles C4'-P-C4' energy: -82.075
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -95.260
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: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -881.922411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.922411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.922411 (E_RNA)
where:
Base-Base interactions energy: -524.947
where: short stacking energy: -240.476
Base-Backbone interact. energy: 0.087
local terms energy: -357.062736
where:
bonds (distance) C4'-P energy: -95.440
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -90.577
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -805.456388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.456388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.456388 (E_RNA)
where:
Base-Base interactions energy: -482.978
where: short stacking energy: -234.356
Base-Backbone interact. energy: 2.697
local terms energy: -325.176016
where:
bonds (distance) C4'-P energy: -76.116
bonds (distance) P-C4' energy: -82.227
flat angles C4'-P-C4' energy: -69.719
flat angles P-C4'-P energy: -54.986
tors. eta vs tors. theta energy: -42.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -589.832133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.832133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.832133 (E_RNA)
where:
Base-Base interactions energy: -306.624
where: short stacking energy: -180.582
Base-Backbone interact. energy: -0.829
local terms energy: -282.379957
where:
bonds (distance) C4'-P energy: -68.839
bonds (distance) P-C4' energy: -75.671
flat angles C4'-P-C4' energy: -89.129
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1776.743480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.743480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.743480 (E_RNA)
where:
Base-Base interactions energy: -1249.604
where: short stacking energy: -512.209
Base-Backbone interact. energy: -3.119
local terms energy: -524.020741
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -106.169
flat angles P-C4'-P energy: -72.122
tors. eta vs tors. theta energy: -149.877
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: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1736.774139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.774139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.774139 (E_RNA)
where:
Base-Base interactions energy: -1192.752
where: short stacking energy: -531.165
Base-Backbone interact. energy: -1.542
local terms energy: -542.479763
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -112.732
flat angles C4'-P-C4' energy: -108.537
flat angles P-C4'-P energy: -62.903
tors. eta vs tors. theta energy: -169.049
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1616.419671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.419671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.419671 (E_RNA)
where:
Base-Base interactions energy: -1117.122
where: short stacking energy: -464.597
Base-Backbone interact. energy: -2.615
local terms energy: -496.682413
where:
bonds (distance) C4'-P energy: -88.284
bonds (distance) P-C4' energy: -99.502
flat angles C4'-P-C4' energy: -104.474
flat angles P-C4'-P energy: -74.351
tors. eta vs tors. theta energy: -130.072
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1503.482454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.482454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.482454 (E_RNA)
where:
Base-Base interactions energy: -1002.453
where: short stacking energy: -445.370
Base-Backbone interact. energy: -1.031
local terms energy: -499.998529
where:
bonds (distance) C4'-P energy: -89.106
bonds (distance) P-C4' energy: -96.515
flat angles C4'-P-C4' energy: -106.566
flat angles P-C4'-P energy: -76.181
tors. eta vs tors. theta energy: -131.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1488.082543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.082543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.082543 (E_RNA)
where:
Base-Base interactions energy: -1033.919
where: short stacking energy: -420.398
Base-Backbone interact. energy: 0.171
local terms energy: -454.334744
where:
bonds (distance) C4'-P energy: -84.272
bonds (distance) P-C4' energy: -100.317
flat angles C4'-P-C4' energy: -96.328
flat angles P-C4'-P energy: -57.838
tors. eta vs tors. theta energy: -115.580
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: 273
Temperature: 1.150000
Total energy: -1402.883103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.883103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.883103 (E_RNA)
where:
Base-Base interactions energy: -956.239
where: short stacking energy: -418.079
Base-Backbone interact. energy: -0.833
local terms energy: -445.811423
where:
bonds (distance) C4'-P energy: -90.506
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -69.314
tors. eta vs tors. theta energy: -110.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1258.647235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.647235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.647235 (E_RNA)
where:
Base-Base interactions energy: -823.013
where: short stacking energy: -371.658
Base-Backbone interact. energy: 1.579
local terms energy: -437.213350
where:
bonds (distance) C4'-P energy: -79.797
bonds (distance) P-C4' energy: -93.859
flat angles C4'-P-C4' energy: -93.143
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -97.324
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: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -919.509518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.509518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.509518 (E_RNA)
where:
Base-Base interactions energy: -588.803
where: short stacking energy: -290.223
Base-Backbone interact. energy: 0.363
local terms energy: -331.069627
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -82.841
flat angles C4'-P-C4' energy: -86.890
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -49.919
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: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -797.322555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.322555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.322555 (E_RNA)
where:
Base-Base interactions energy: -474.485
where: short stacking energy: -225.847
Base-Backbone interact. energy: -0.615
local terms energy: -322.223255
where:
bonds (distance) C4'-P energy: -83.517
bonds (distance) P-C4' energy: -76.017
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -52.037
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -604.041377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.041377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.041377 (E_RNA)
where:
Base-Base interactions energy: -315.177
where: short stacking energy: -175.143
Base-Backbone interact. energy: -1.531
local terms energy: -287.333571
where:
bonds (distance) C4'-P energy: -82.797
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -67.116
flat angles P-C4'-P energy: -36.259
tors. eta vs tors. theta energy: -3.125
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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1783.860250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.860250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.860250 (E_RNA)
where:
Base-Base interactions energy: -1227.996
where: short stacking energy: -553.783
Base-Backbone interact. energy: -2.434
local terms energy: -553.429639
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -89.823
flat angles C4'-P-C4' energy: -119.182
flat angles P-C4'-P energy: -77.817
tors. eta vs tors. theta energy: -171.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1755.088040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.088040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.088040 (E_RNA)
where:
Base-Base interactions energy: -1226.160
where: short stacking energy: -466.848
Base-Backbone interact. energy: -0.545
local terms energy: -528.382879
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -107.471
flat angles C4'-P-C4' energy: -107.998
flat angles P-C4'-P energy: -80.289
tors. eta vs tors. theta energy: -137.801
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: 274
Temperature: 1.000000
Total energy: -1623.295504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.295504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.295504 (E_RNA)
where:
Base-Base interactions energy: -1126.205
where: short stacking energy: -491.711
Base-Backbone interact. energy: 1.902
local terms energy: -498.992585
where:
bonds (distance) C4'-P energy: -88.603
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -103.095
flat angles P-C4'-P energy: -77.696
tors. eta vs tors. theta energy: -138.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1522.295776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.295776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.295776 (E_RNA)
where:
Base-Base interactions energy: -1044.061
where: short stacking energy: -451.674
Base-Backbone interact. energy: -2.035
local terms energy: -476.199903
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -85.856
flat angles C4'-P-C4' energy: -99.930
flat angles P-C4'-P energy: -64.820
tors. eta vs tors. theta energy: -131.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1414.054420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.054420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.054420 (E_RNA)
where:
Base-Base interactions energy: -1010.817
where: short stacking energy: -437.517
Base-Backbone interact. energy: 1.449
local terms energy: -404.685762
where:
bonds (distance) C4'-P energy: -70.144
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -90.434
flat angles P-C4'-P energy: -67.224
tors. eta vs tors. theta energy: -110.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1423.768272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.768272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.768272 (E_RNA)
where:
Base-Base interactions energy: -975.180
where: short stacking energy: -390.906
Base-Backbone interact. energy: -2.546
local terms energy: -446.041398
where:
bonds (distance) C4'-P energy: -91.310
bonds (distance) P-C4' energy: -87.651
flat angles C4'-P-C4' energy: -99.015
flat angles P-C4'-P energy: -65.253
tors. eta vs tors. theta energy: -102.813
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: 274
Temperature: 1.200000
Total energy: -1254.401997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.401997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.401997 (E_RNA)
where:
Base-Base interactions energy: -841.773
where: short stacking energy: -371.482
Base-Backbone interact. energy: 1.106
local terms energy: -413.734645
where:
bonds (distance) C4'-P energy: -79.457
bonds (distance) P-C4' energy: -86.338
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -61.736
tors. eta vs tors. theta energy: -104.072
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -915.947025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.947025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.947025 (E_RNA)
where:
Base-Base interactions energy: -573.553
where: short stacking energy: -269.532
Base-Backbone interact. energy: 0.472
local terms energy: -342.866092
where:
bonds (distance) C4'-P energy: -81.789
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -67.609
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -55.899
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: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -749.268651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.268651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.268651 (E_RNA)
where:
Base-Base interactions energy: -441.443
where: short stacking energy: -221.712
Base-Backbone interact. energy: -1.393
local terms energy: -306.432647
where:
bonds (distance) C4'-P energy: -70.562
bonds (distance) P-C4' energy: -85.462
flat angles C4'-P-C4' energy: -79.411
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -591.799657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.799657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.799657 (E_RNA)
where:
Base-Base interactions energy: -308.578
where: short stacking energy: -183.778
Base-Backbone interact. energy: -0.614
local terms energy: -282.607181
where:
bonds (distance) C4'-P energy: -78.902
bonds (distance) P-C4' energy: -84.897
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -20.881
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: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1779.369011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.369011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.369011 (E_RNA)
where:
Base-Base interactions energy: -1208.214
where: short stacking energy: -541.259
Base-Backbone interact. energy: -2.507
local terms energy: -568.647323
where:
bonds (distance) C4'-P energy: -97.921
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -120.112
flat angles P-C4'-P energy: -83.665
tors. eta vs tors. theta energy: -166.171
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: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1749.241322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.241322 (E_RNA)
where:
Base-Base interactions energy: -1233.388
where: short stacking energy: -473.801
Base-Backbone interact. energy: -4.358
local terms energy: -511.495013
where:
bonds (distance) C4'-P energy: -103.837
bonds (distance) P-C4' energy: -97.413
flat angles C4'-P-C4' energy: -108.461
flat angles P-C4'-P energy: -71.086
tors. eta vs tors. theta energy: -130.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1615.805101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.805101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.805101 (E_RNA)
where:
Base-Base interactions energy: -1114.369
where: short stacking energy: -483.337
Base-Backbone interact. energy: -2.270
local terms energy: -499.166069
where:
bonds (distance) C4'-P energy: -98.651
bonds (distance) P-C4' energy: -85.296
flat angles C4'-P-C4' energy: -102.943
flat angles P-C4'-P energy: -80.470
tors. eta vs tors. theta energy: -131.807
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: -1519.783398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.783398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.783398 (E_RNA)
where:
Base-Base interactions energy: -1027.828
where: short stacking energy: -462.385
Base-Backbone interact. energy: -2.524
local terms energy: -489.431130
where:
bonds (distance) C4'-P energy: -91.027
bonds (distance) P-C4' energy: -103.479
flat angles C4'-P-C4' energy: -102.283
flat angles P-C4'-P energy: -63.547
tors. eta vs tors. theta energy: -129.096
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: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1382.985695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.985695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.985695 (E_RNA)
where:
Base-Base interactions energy: -962.278
where: short stacking energy: -436.196
Base-Backbone interact. energy: 0.164
local terms energy: -420.871490
where:
bonds (distance) C4'-P energy: -82.156
bonds (distance) P-C4' energy: -87.330
flat angles C4'-P-C4' energy: -80.662
flat angles P-C4'-P energy: -59.869
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: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1419.569172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.569172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.569172 (E_RNA)
where:
Base-Base interactions energy: -976.062
where: short stacking energy: -396.795
Base-Backbone interact. energy: -1.614
local terms energy: -441.892902
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -90.264
flat angles C4'-P-C4' energy: -103.203
flat angles P-C4'-P energy: -66.295
tors. eta vs tors. theta energy: -101.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1306.759513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.759513 (E_RNA)
where:
Base-Base interactions energy: -885.041
where: short stacking energy: -382.281
Base-Backbone interact. energy: -2.548
local terms energy: -419.170595
where:
bonds (distance) C4'-P energy: -74.686
bonds (distance) P-C4' energy: -98.169
flat angles C4'-P-C4' energy: -84.875
flat angles P-C4'-P energy: -65.531
tors. eta vs tors. theta energy: -95.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -923.438539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.438539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.438539 (E_RNA)
where:
Base-Base interactions energy: -591.355
where: short stacking energy: -277.454
Base-Backbone interact. energy: -1.826
local terms energy: -330.257083
where:
bonds (distance) C4'-P energy: -92.320
bonds (distance) P-C4' energy: -82.808
flat angles C4'-P-C4' energy: -81.633
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: -37.933
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: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -742.038474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.038474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.038474 (E_RNA)
where:
Base-Base interactions energy: -457.184
where: short stacking energy: -226.595
Base-Backbone interact. energy: -1.297
local terms energy: -283.557884
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -63.826
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -622.124023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.124023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.124023 (E_RNA)
where:
Base-Base interactions energy: -326.911
where: short stacking energy: -182.383
Base-Backbone interact. energy: -2.081
local terms energy: -293.131364
where:
bonds (distance) C4'-P energy: -70.543
bonds (distance) P-C4' energy: -84.817
flat angles C4'-P-C4' energy: -76.151
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1799.907293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.907293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.907293 (E_RNA)
where:
Base-Base interactions energy: -1274.277
where: short stacking energy: -516.885
Base-Backbone interact. energy: -5.154
local terms energy: -520.476853
where:
bonds (distance) C4'-P energy: -89.349
bonds (distance) P-C4' energy: -93.924
flat angles C4'-P-C4' energy: -120.322
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -143.048
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: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1769.593902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.593902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.593902 (E_RNA)
where:
Base-Base interactions energy: -1218.847
where: short stacking energy: -521.946
Base-Backbone interact. energy: -3.079
local terms energy: -547.667901
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -97.289
flat angles C4'-P-C4' energy: -124.309
flat angles P-C4'-P energy: -70.637
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: 276
Temperature: 1.000000
Total energy: -1599.961437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.961437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.961437 (E_RNA)
where:
Base-Base interactions energy: -1130.180
where: short stacking energy: -475.679
Base-Backbone interact. energy: -2.813
local terms energy: -466.968814
where:
bonds (distance) C4'-P energy: -86.229
bonds (distance) P-C4' energy: -88.366
flat angles C4'-P-C4' energy: -103.790
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: -122.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1494.608651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.608651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.608651 (E_RNA)
where:
Base-Base interactions energy: -1026.056
where: short stacking energy: -445.786
Base-Backbone interact. energy: -0.451
local terms energy: -468.101370
where:
bonds (distance) C4'-P energy: -81.394
bonds (distance) P-C4' energy: -92.044
flat angles C4'-P-C4' energy: -99.433
flat angles P-C4'-P energy: -69.863
tors. eta vs tors. theta energy: -125.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1471.526048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.526048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.526048 (E_RNA)
where:
Base-Base interactions energy: -1010.753
where: short stacking energy: -427.881
Base-Backbone interact. energy: -0.034
local terms energy: -460.738854
where:
bonds (distance) C4'-P energy: -99.421
bonds (distance) P-C4' energy: -94.733
flat angles C4'-P-C4' energy: -94.722
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -115.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1364.546149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.546149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.546149 (E_RNA)
where:
Base-Base interactions energy: -938.911
where: short stacking energy: -397.382
Base-Backbone interact. energy: -0.788
local terms energy: -424.847877
where:
bonds (distance) C4'-P energy: -91.468
bonds (distance) P-C4' energy: -90.287
flat angles C4'-P-C4' energy: -91.443
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -103.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1319.796127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.796127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.796127 (E_RNA)
where:
Base-Base interactions energy: -897.102
where: short stacking energy: -382.595
Base-Backbone interact. energy: -0.277
local terms energy: -422.416801
where:
bonds (distance) C4'-P energy: -90.312
bonds (distance) P-C4' energy: -61.862
flat angles C4'-P-C4' energy: -97.582
flat angles P-C4'-P energy: -59.689
tors. eta vs tors. theta energy: -112.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -998.375747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.375747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.375747 (E_RNA)
where:
Base-Base interactions energy: -643.266
where: short stacking energy: -280.871
Base-Backbone interact. energy: 2.275
local terms energy: -357.384412
where:
bonds (distance) C4'-P energy: -80.926
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -91.372
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -57.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -753.413523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.413523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.413523 (E_RNA)
where:
Base-Base interactions energy: -452.254
where: short stacking energy: -221.493
Base-Backbone interact. energy: 0.147
local terms energy: -301.306168
where:
bonds (distance) C4'-P energy: -80.648
bonds (distance) P-C4' energy: -80.101
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -618.921047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.921047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.921047 (E_RNA)
where:
Base-Base interactions energy: -332.798
where: short stacking energy: -169.036
Base-Backbone interact. energy: 0.247
local terms energy: -286.370036
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -78.716
flat angles C4'-P-C4' energy: -88.832
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1802.931898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.931898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.931898 (E_RNA)
where:
Base-Base interactions energy: -1270.940
where: short stacking energy: -498.442
Base-Backbone interact. energy: -2.912
local terms energy: -529.080255
where:
bonds (distance) C4'-P energy: -91.383
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -121.707
flat angles P-C4'-P energy: -68.487
tors. eta vs tors. theta energy: -147.342
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1752.701249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.701249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.701249 (E_RNA)
where:
Base-Base interactions energy: -1207.402
where: short stacking energy: -530.614
Base-Backbone interact. energy: -1.383
local terms energy: -543.916682
where:
bonds (distance) C4'-P energy: -91.681
bonds (distance) P-C4' energy: -92.708
flat angles C4'-P-C4' energy: -102.558
flat angles P-C4'-P energy: -80.518
tors. eta vs tors. theta energy: -176.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1592.923714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.923714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.923714 (E_RNA)
where:
Base-Base interactions energy: -1094.284
where: short stacking energy: -477.419
Base-Backbone interact. energy: -3.339
local terms energy: -495.301439
where:
bonds (distance) C4'-P energy: -95.855
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -133.757
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: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1544.468196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.468196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.468196 (E_RNA)
where:
Base-Base interactions energy: -1040.647
where: short stacking energy: -458.789
Base-Backbone interact. energy: -1.029
local terms energy: -502.792576
where:
bonds (distance) C4'-P energy: -98.090
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -110.158
flat angles P-C4'-P energy: -61.625
tors. eta vs tors. theta energy: -126.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1471.059182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.059182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.059182 (E_RNA)
where:
Base-Base interactions energy: -1003.331
where: short stacking energy: -433.205
Base-Backbone interact. energy: 1.102
local terms energy: -468.830458
where:
bonds (distance) C4'-P energy: -75.036
bonds (distance) P-C4' energy: -107.046
flat angles C4'-P-C4' energy: -110.302
flat angles P-C4'-P energy: -60.318
tors. eta vs tors. theta energy: -116.129
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: 277
Temperature: 1.150000
Total energy: -1367.946296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.946296 (E_RNA)
where:
Base-Base interactions energy: -948.960
where: short stacking energy: -400.728
Base-Backbone interact. energy: 0.380
local terms energy: -419.366216
where:
bonds (distance) C4'-P energy: -70.717
bonds (distance) P-C4' energy: -86.601
flat angles C4'-P-C4' energy: -93.765
flat angles P-C4'-P energy: -64.269
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: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1290.452571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.452571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.452571 (E_RNA)
where:
Base-Base interactions energy: -887.936
where: short stacking energy: -404.241
Base-Backbone interact. energy: -0.347
local terms energy: -402.170053
where:
bonds (distance) C4'-P energy: -80.285
bonds (distance) P-C4' energy: -67.823
flat angles C4'-P-C4' energy: -99.143
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: -103.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1012.867974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.867974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.867974 (E_RNA)
where:
Base-Base interactions energy: -644.452
where: short stacking energy: -291.251
Base-Backbone interact. energy: -3.865
local terms energy: -364.550505
where:
bonds (distance) C4'-P energy: -77.650
bonds (distance) P-C4' energy: -77.945
flat angles C4'-P-C4' energy: -89.046
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -64.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -750.742954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.742954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.742954 (E_RNA)
where:
Base-Base interactions energy: -424.156
where: short stacking energy: -222.503
Base-Backbone interact. energy: -0.213
local terms energy: -326.374414
where:
bonds (distance) C4'-P energy: -74.222
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -84.678
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -40.766
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: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -704.633610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.633610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.633610 (E_RNA)
where:
Base-Base interactions energy: -405.109
where: short stacking energy: -202.129
Base-Backbone interact. energy: 5.782
local terms energy: -305.306768
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -76.699
flat angles C4'-P-C4' energy: -92.075
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1806.623151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.623151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.623151 (E_RNA)
where:
Base-Base interactions energy: -1272.143
where: short stacking energy: -513.546
Base-Backbone interact. energy: -1.709
local terms energy: -532.771181
where:
bonds (distance) C4'-P energy: -94.997
bonds (distance) P-C4' energy: -101.169
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -147.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1766.370301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.370301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.370301 (E_RNA)
where:
Base-Base interactions energy: -1230.428
where: short stacking energy: -545.904
Base-Backbone interact. energy: -1.752
local terms energy: -534.190565
where:
bonds (distance) C4'-P energy: -92.225
bonds (distance) P-C4' energy: -93.118
flat angles C4'-P-C4' energy: -107.123
flat angles P-C4'-P energy: -72.626
tors. eta vs tors. theta energy: -169.098
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: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1618.436241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.436241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.436241 (E_RNA)
where:
Base-Base interactions energy: -1119.247
where: short stacking energy: -488.319
Base-Backbone interact. energy: -1.143
local terms energy: -498.046430
where:
bonds (distance) C4'-P energy: -102.339
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -96.109
flat angles P-C4'-P energy: -66.303
tors. eta vs tors. theta energy: -137.221
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: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1531.051950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.051950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.051950 (E_RNA)
where:
Base-Base interactions energy: -1047.778
where: short stacking energy: -462.602
Base-Backbone interact. energy: -0.798
local terms energy: -482.476768
where:
bonds (distance) C4'-P energy: -78.777
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -106.550
flat angles P-C4'-P energy: -75.610
tors. eta vs tors. theta energy: -126.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1448.907766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.907766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.907766 (E_RNA)
where:
Base-Base interactions energy: -991.779
where: short stacking energy: -426.927
Base-Backbone interact. energy: -1.443
local terms energy: -455.685935
where:
bonds (distance) C4'-P energy: -85.193
bonds (distance) P-C4' energy: -81.582
flat angles C4'-P-C4' energy: -92.734
flat angles P-C4'-P energy: -69.263
tors. eta vs tors. theta energy: -126.915
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1363.008771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.008771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.008771 (E_RNA)
where:
Base-Base interactions energy: -917.656
where: short stacking energy: -382.876
Base-Backbone interact. energy: 2.254
local terms energy: -447.606244
where:
bonds (distance) C4'-P energy: -89.372
bonds (distance) P-C4' energy: -90.756
flat angles C4'-P-C4' energy: -96.608
flat angles P-C4'-P energy: -65.033
tors. eta vs tors. theta energy: -105.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1303.267135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.267135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.267135 (E_RNA)
where:
Base-Base interactions energy: -869.267
where: short stacking energy: -381.521
Base-Backbone interact. energy: -2.204
local terms energy: -431.796353
where:
bonds (distance) C4'-P energy: -67.478
bonds (distance) P-C4' energy: -92.408
flat angles C4'-P-C4' energy: -96.296
flat angles P-C4'-P energy: -66.868
tors. eta vs tors. theta energy: -108.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -981.418018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.418018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.418018 (E_RNA)
where:
Base-Base interactions energy: -613.572
where: short stacking energy: -278.950
Base-Backbone interact. energy: 3.258
local terms energy: -371.103525
where:
bonds (distance) C4'-P energy: -85.401
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -92.118
flat angles P-C4'-P energy: -59.544
tors. eta vs tors. theta energy: -49.345
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: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -740.638565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.638565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.638565 (E_RNA)
where:
Base-Base interactions energy: -440.108
where: short stacking energy: -230.881
Base-Backbone interact. energy: -1.300
local terms energy: -299.230388
where:
bonds (distance) C4'-P energy: -85.733
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -77.339
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -661.506167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.506167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.506167 (E_RNA)
where:
Base-Base interactions energy: -363.385
where: short stacking energy: -173.935
Base-Backbone interact. energy: -2.597
local terms energy: -295.523661
where:
bonds (distance) C4'-P energy: -93.208
bonds (distance) P-C4' energy: -63.848
flat angles C4'-P-C4' energy: -83.185
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1822.050693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.050693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.050693 (E_RNA)
where:
Base-Base interactions energy: -1278.643
where: short stacking energy: -507.307
Base-Backbone interact. energy: -3.890
local terms energy: -539.517067
where:
bonds (distance) C4'-P energy: -89.641
bonds (distance) P-C4' energy: -103.265
flat angles C4'-P-C4' energy: -105.796
flat angles P-C4'-P energy: -83.927
tors. eta vs tors. theta energy: -156.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1753.025503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.025503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.025503 (E_RNA)
where:
Base-Base interactions energy: -1204.345
where: short stacking energy: -540.033
Base-Backbone interact. energy: 4.208
local terms energy: -552.888422
where:
bonds (distance) C4'-P energy: -93.081
bonds (distance) P-C4' energy: -99.701
flat angles C4'-P-C4' energy: -108.318
flat angles P-C4'-P energy: -81.637
tors. eta vs tors. theta energy: -170.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1671.789180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.789180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.789180 (E_RNA)
where:
Base-Base interactions energy: -1159.864
where: short stacking energy: -487.845
Base-Backbone interact. energy: -1.288
local terms energy: -510.637577
where:
bonds (distance) C4'-P energy: -85.463
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -112.858
flat angles P-C4'-P energy: -70.701
tors. eta vs tors. theta energy: -143.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1459.344350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.344350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.344350 (E_RNA)
where:
Base-Base interactions energy: -1017.284
where: short stacking energy: -416.647
Base-Backbone interact. energy: -0.004
local terms energy: -442.056433
where:
bonds (distance) C4'-P energy: -83.415
bonds (distance) P-C4' energy: -85.082
flat angles C4'-P-C4' energy: -103.753
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -112.560
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1495.615379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.615379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.615379 (E_RNA)
where:
Base-Base interactions energy: -1025.604
where: short stacking energy: -452.433
Base-Backbone interact. energy: -3.265
local terms energy: -466.746313
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -88.199
flat angles C4'-P-C4' energy: -105.672
flat angles P-C4'-P energy: -69.920
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: 279
Temperature: 1.150000
Total energy: -1391.380020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.380020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.380020 (E_RNA)
where:
Base-Base interactions energy: -936.559
where: short stacking energy: -392.704
Base-Backbone interact. energy: -3.275
local terms energy: -451.546707
where:
bonds (distance) C4'-P energy: -84.779
bonds (distance) P-C4' energy: -92.866
flat angles C4'-P-C4' energy: -100.722
flat angles P-C4'-P energy: -55.426
tors. eta vs tors. theta energy: -117.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1269.978667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.978667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.978667 (E_RNA)
where:
Base-Base interactions energy: -857.974
where: short stacking energy: -402.905
Base-Backbone interact. energy: 3.477
local terms energy: -415.481696
where:
bonds (distance) C4'-P energy: -88.844
bonds (distance) P-C4' energy: -80.865
flat angles C4'-P-C4' energy: -81.668
flat angles P-C4'-P energy: -59.368
tors. eta vs tors. theta energy: -104.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -972.076439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.076439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.076439 (E_RNA)
where:
Base-Base interactions energy: -624.189
where: short stacking energy: -292.511
Base-Backbone interact. energy: 3.290
local terms energy: -351.177204
where:
bonds (distance) C4'-P energy: -73.027
bonds (distance) P-C4' energy: -80.713
flat angles C4'-P-C4' energy: -82.735
flat angles P-C4'-P energy: -63.232
tors. eta vs tors. theta energy: -51.471
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -758.516785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.516785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.516785 (E_RNA)
where:
Base-Base interactions energy: -440.508
where: short stacking energy: -230.770
Base-Backbone interact. energy: -0.817
local terms energy: -317.191569
where:
bonds (distance) C4'-P energy: -81.590
bonds (distance) P-C4' energy: -78.207
flat angles C4'-P-C4' energy: -76.345
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -673.241997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.241997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.241997 (E_RNA)
where:
Base-Base interactions energy: -367.161
where: short stacking energy: -212.836
Base-Backbone interact. energy: 0.903
local terms energy: -306.984779
where:
bonds (distance) C4'-P energy: -73.153
bonds (distance) P-C4' energy: -79.270
flat angles C4'-P-C4' energy: -88.667
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -21.633
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: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1806.827999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.827999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.827999 (E_RNA)
where:
Base-Base interactions energy: -1226.731
where: short stacking energy: -544.174
Base-Backbone interact. energy: -2.290
local terms energy: -577.807382
where:
bonds (distance) C4'-P energy: -104.609
bonds (distance) P-C4' energy: -103.848
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -82.864
tors. eta vs tors. theta energy: -168.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1769.360825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.360825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.360825 (E_RNA)
where:
Base-Base interactions energy: -1245.658
where: short stacking energy: -514.717
Base-Backbone interact. energy: 1.398
local terms energy: -525.100753
where:
bonds (distance) C4'-P energy: -86.408
bonds (distance) P-C4' energy: -103.041
flat angles C4'-P-C4' energy: -109.555
flat angles P-C4'-P energy: -72.974
tors. eta vs tors. theta energy: -153.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1680.418182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.418182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.418182 (E_RNA)
where:
Base-Base interactions energy: -1158.537
where: short stacking energy: -477.174
Base-Backbone interact. energy: -3.315
local terms energy: -518.566569
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -105.690
flat angles C4'-P-C4' energy: -108.426
flat angles P-C4'-P energy: -70.712
tors. eta vs tors. theta energy: -141.889
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: 280
Temperature: 1.050000
Total energy: -1447.034731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.034731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.034731 (E_RNA)
where:
Base-Base interactions energy: -987.071
where: short stacking energy: -412.489
Base-Backbone interact. energy: 0.844
local terms energy: -460.807967
where:
bonds (distance) C4'-P energy: -84.196
bonds (distance) P-C4' energy: -97.581
flat angles C4'-P-C4' energy: -105.118
flat angles P-C4'-P energy: -68.529
tors. eta vs tors. theta energy: -105.383
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1448.555651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.555651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.555651 (E_RNA)
where:
Base-Base interactions energy: -986.262
where: short stacking energy: -423.841
Base-Backbone interact. energy: -2.286
local terms energy: -460.007778
where:
bonds (distance) C4'-P energy: -99.375
bonds (distance) P-C4' energy: -84.526
flat angles C4'-P-C4' energy: -102.909
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -108.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1410.815312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.815312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.815312 (E_RNA)
where:
Base-Base interactions energy: -986.342
where: short stacking energy: -424.675
Base-Backbone interact. energy: -0.548
local terms energy: -423.925568
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -95.827
flat angles C4'-P-C4' energy: -78.443
flat angles P-C4'-P energy: -56.136
tors. eta vs tors. theta energy: -110.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1266.856659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.856659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.856659 (E_RNA)
where:
Base-Base interactions energy: -858.900
where: short stacking energy: -379.282
Base-Backbone interact. energy: -1.000
local terms energy: -406.957040
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -94.262
flat angles P-C4'-P energy: -63.665
tors. eta vs tors. theta energy: -97.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -952.715822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.715822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.715822 (E_RNA)
where:
Base-Base interactions energy: -590.605
where: short stacking energy: -273.875
Base-Backbone interact. energy: 4.299
local terms energy: -366.410593
where:
bonds (distance) C4'-P energy: -82.531
bonds (distance) P-C4' energy: -82.747
flat angles C4'-P-C4' energy: -96.851
flat angles P-C4'-P energy: -54.290
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -773.452605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.452605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.452605 (E_RNA)
where:
Base-Base interactions energy: -443.385
where: short stacking energy: -225.097
Base-Backbone interact. energy: -1.328
local terms energy: -328.739547
where:
bonds (distance) C4'-P energy: -79.223
bonds (distance) P-C4' energy: -81.912
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -66.452
tors. eta vs tors. theta energy: -23.175
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: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -631.599859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.599859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.599859 (E_RNA)
where:
Base-Base interactions energy: -363.253
where: short stacking energy: -189.106
Base-Backbone interact. energy: 4.051
local terms energy: -272.397016
where:
bonds (distance) C4'-P energy: -78.293
bonds (distance) P-C4' energy: -75.327
flat angles C4'-P-C4' energy: -68.481
flat angles P-C4'-P energy: -52.442
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1811.312076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.312076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.312076 (E_RNA)
where:
Base-Base interactions energy: -1251.716
where: short stacking energy: -555.629
Base-Backbone interact. energy: -1.219
local terms energy: -558.376114
where:
bonds (distance) C4'-P energy: -99.162
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -114.123
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -175.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1772.901660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.901660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.901660 (E_RNA)
where:
Base-Base interactions energy: -1255.842
where: short stacking energy: -521.883
Base-Backbone interact. energy: 2.211
local terms energy: -519.270302
where:
bonds (distance) C4'-P energy: -87.957
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -113.345
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -150.518
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1643.873950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.873950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.873950 (E_RNA)
where:
Base-Base interactions energy: -1125.081
where: short stacking energy: -455.147
Base-Backbone interact. energy: -3.907
local terms energy: -514.885695
where:
bonds (distance) C4'-P energy: -102.567
bonds (distance) P-C4' energy: -86.281
flat angles C4'-P-C4' energy: -109.710
flat angles P-C4'-P energy: -82.223
tors. eta vs tors. theta energy: -134.105
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1481.224748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.224748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.224748 (E_RNA)
where:
Base-Base interactions energy: -1009.003
where: short stacking energy: -458.723
Base-Backbone interact. energy: 0.153
local terms energy: -472.375450
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -93.565
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: -138.739
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1416.213173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.213173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.213173 (E_RNA)
where:
Base-Base interactions energy: -964.672
where: short stacking energy: -379.467
Base-Backbone interact. energy: -1.287
local terms energy: -450.253869
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -104.122
flat angles C4'-P-C4' energy: -92.525
flat angles P-C4'-P energy: -65.049
tors. eta vs tors. theta energy: -101.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1393.719523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.719523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.719523 (E_RNA)
where:
Base-Base interactions energy: -983.569
where: short stacking energy: -413.519
Base-Backbone interact. energy: -1.675
local terms energy: -408.475727
where:
bonds (distance) C4'-P energy: -85.312
bonds (distance) P-C4' energy: -67.452
flat angles C4'-P-C4' energy: -87.887
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -116.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1262.936488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.936488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.936488 (E_RNA)
where:
Base-Base interactions energy: -857.136
where: short stacking energy: -357.120
Base-Backbone interact. energy: 0.037
local terms energy: -405.836979
where:
bonds (distance) C4'-P energy: -79.571
bonds (distance) P-C4' energy: -88.651
flat angles C4'-P-C4' energy: -79.254
flat angles P-C4'-P energy: -67.738
tors. eta vs tors. theta energy: -90.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -956.141131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.141131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.141131 (E_RNA)
where:
Base-Base interactions energy: -599.525
where: short stacking energy: -257.898
Base-Backbone interact. energy: -3.781
local terms energy: -352.835571
where:
bonds (distance) C4'-P energy: -79.072
bonds (distance) P-C4' energy: -100.969
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -67.550
tors. eta vs tors. theta energy: -38.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -751.745526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.745526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.745526 (E_RNA)
where:
Base-Base interactions energy: -447.932
where: short stacking energy: -201.726
Base-Backbone interact. energy: 0.488
local terms energy: -304.301068
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -90.348
flat angles C4'-P-C4' energy: -76.193
flat angles P-C4'-P energy: -54.231
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -662.385032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.385032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.385032 (E_RNA)
where:
Base-Base interactions energy: -382.652
where: short stacking energy: -209.197
Base-Backbone interact. energy: 2.689
local terms energy: -282.421628
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -80.983
flat angles C4'-P-C4' energy: -77.796
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -28.679
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1841.886468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.886468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.886468 (E_RNA)
where:
Base-Base interactions energy: -1278.165
where: short stacking energy: -548.529
Base-Backbone interact. energy: -1.626
local terms energy: -562.095536
where:
bonds (distance) C4'-P energy: -98.840
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -168.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1763.459042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.459042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.459042 (E_RNA)
where:
Base-Base interactions energy: -1238.565
where: short stacking energy: -510.515
Base-Backbone interact. energy: 0.876
local terms energy: -525.770670
where:
bonds (distance) C4'-P energy: -88.149
bonds (distance) P-C4' energy: -99.113
flat angles C4'-P-C4' energy: -106.895
flat angles P-C4'-P energy: -83.786
tors. eta vs tors. theta energy: -147.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1633.077272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.077272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.077272 (E_RNA)
where:
Base-Base interactions energy: -1138.488
where: short stacking energy: -482.015
Base-Backbone interact. energy: 0.277
local terms energy: -494.866400
where:
bonds (distance) C4'-P energy: -81.588
bonds (distance) P-C4' energy: -98.746
flat angles C4'-P-C4' energy: -107.995
flat angles P-C4'-P energy: -76.224
tors. eta vs tors. theta energy: -130.313
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: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1485.906090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.906090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.906090 (E_RNA)
where:
Base-Base interactions energy: -1028.768
where: short stacking energy: -474.370
Base-Backbone interact. energy: 1.575
local terms energy: -458.712836
where:
bonds (distance) C4'-P energy: -82.009
bonds (distance) P-C4' energy: -85.045
flat angles C4'-P-C4' energy: -99.853
flat angles P-C4'-P energy: -67.131
tors. eta vs tors. theta energy: -124.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1448.077700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.077700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.077700 (E_RNA)
where:
Base-Base interactions energy: -963.028
where: short stacking energy: -433.541
Base-Backbone interact. energy: 1.951
local terms energy: -486.999966
where:
bonds (distance) C4'-P energy: -86.826
bonds (distance) P-C4' energy: -105.523
flat angles C4'-P-C4' energy: -102.181
flat angles P-C4'-P energy: -67.250
tors. eta vs tors. theta energy: -125.220
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1363.629669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.629669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.629669 (E_RNA)
where:
Base-Base interactions energy: -940.691
where: short stacking energy: -379.627
Base-Backbone interact. energy: -1.591
local terms energy: -421.347426
where:
bonds (distance) C4'-P energy: -81.727
bonds (distance) P-C4' energy: -73.500
flat angles C4'-P-C4' energy: -97.071
flat angles P-C4'-P energy: -67.265
tors. eta vs tors. theta energy: -101.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1246.504961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.504961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.504961 (E_RNA)
where:
Base-Base interactions energy: -831.124
where: short stacking energy: -354.256
Base-Backbone interact. energy: 1.209
local terms energy: -416.589519
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -89.093
flat angles C4'-P-C4' energy: -100.544
flat angles P-C4'-P energy: -59.246
tors. eta vs tors. theta energy: -98.981
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: 282
Temperature: 1.250000
Total energy: -969.450156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.450156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.450156 (E_RNA)
where:
Base-Base interactions energy: -613.868
where: short stacking energy: -281.215
Base-Backbone interact. energy: -1.782
local terms energy: -353.800457
where:
bonds (distance) C4'-P energy: -78.218
bonds (distance) P-C4' energy: -82.860
flat angles C4'-P-C4' energy: -89.686
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -61.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -693.108429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.108429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.108429 (E_RNA)
where:
Base-Base interactions energy: -388.693
where: short stacking energy: -232.212
Base-Backbone interact. energy: 1.073
local terms energy: -305.488427
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -88.621
flat angles C4'-P-C4' energy: -81.853
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -750.487459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.487459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.487459 (E_RNA)
where:
Base-Base interactions energy: -456.647
where: short stacking energy: -203.506
Base-Backbone interact. energy: -2.050
local terms energy: -291.790674
where:
bonds (distance) C4'-P energy: -78.333
bonds (distance) P-C4' energy: -81.978
flat angles C4'-P-C4' energy: -61.404
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -25.604
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1814.293688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.293688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.293688 (E_RNA)
where:
Base-Base interactions energy: -1261.297
where: short stacking energy: -547.416
Base-Backbone interact. energy: -1.857
local terms energy: -551.140276
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -93.733
flat angles C4'-P-C4' energy: -116.112
flat angles P-C4'-P energy: -76.243
tors. eta vs tors. theta energy: -169.439
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: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1764.006583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.006583 (E_RNA)
where:
Base-Base interactions energy: -1231.563
where: short stacking energy: -513.453
Base-Backbone interact. energy: -1.940
local terms energy: -530.503402
where:
bonds (distance) C4'-P energy: -97.080
bonds (distance) P-C4' energy: -102.455
flat angles C4'-P-C4' energy: -101.309
flat angles P-C4'-P energy: -82.344
tors. eta vs tors. theta energy: -147.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1651.678690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.678690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.678690 (E_RNA)
where:
Base-Base interactions energy: -1155.954
where: short stacking energy: -475.071
Base-Backbone interact. energy: -1.531
local terms energy: -494.194031
where:
bonds (distance) C4'-P energy: -84.743
bonds (distance) P-C4' energy: -89.630
flat angles C4'-P-C4' energy: -117.339
flat angles P-C4'-P energy: -69.945
tors. eta vs tors. theta energy: -132.536
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1509.561757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.561757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.561757 (E_RNA)
where:
Base-Base interactions energy: -1037.140
where: short stacking energy: -446.435
Base-Backbone interact. energy: -2.231
local terms energy: -470.190320
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -86.244
flat angles C4'-P-C4' energy: -96.615
flat angles P-C4'-P energy: -74.694
tors. eta vs tors. theta energy: -128.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1438.945349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.945349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.945349 (E_RNA)
where:
Base-Base interactions energy: -964.885
where: short stacking energy: -415.343
Base-Backbone interact. energy: -1.717
local terms energy: -472.343326
where:
bonds (distance) C4'-P energy: -99.015
bonds (distance) P-C4' energy: -107.672
flat angles C4'-P-C4' energy: -95.319
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -120.104
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: 283
Temperature: 1.150000
Total energy: -1381.960284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.960284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.960284 (E_RNA)
where:
Base-Base interactions energy: -958.617
where: short stacking energy: -401.449
Base-Backbone interact. energy: -2.735
local terms energy: -420.608755
where:
bonds (distance) C4'-P energy: -79.358
bonds (distance) P-C4' energy: -100.281
flat angles C4'-P-C4' energy: -93.345
flat angles P-C4'-P energy: -54.505
tors. eta vs tors. theta energy: -93.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1270.497600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.497600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.497600 (E_RNA)
where:
Base-Base interactions energy: -855.657
where: short stacking energy: -365.717
Base-Backbone interact. energy: -0.493
local terms energy: -414.347554
where:
bonds (distance) C4'-P energy: -76.187
bonds (distance) P-C4' energy: -90.704
flat angles C4'-P-C4' energy: -99.148
flat angles P-C4'-P energy: -50.490
tors. eta vs tors. theta energy: -97.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -965.572618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.572618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.572618 (E_RNA)
where:
Base-Base interactions energy: -594.366
where: short stacking energy: -249.806
Base-Backbone interact. energy: -0.186
local terms energy: -371.020482
where:
bonds (distance) C4'-P energy: -68.720
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -58.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -694.061153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.061153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.061153 (E_RNA)
where:
Base-Base interactions energy: -396.105
where: short stacking energy: -183.184
Base-Backbone interact. energy: 1.731
local terms energy: -299.687386
where:
bonds (distance) C4'-P energy: -77.331
bonds (distance) P-C4' energy: -83.799
flat angles C4'-P-C4' energy: -90.389
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -18.090
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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -713.896571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.896571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.896571 (E_RNA)
where:
Base-Base interactions energy: -412.927
where: short stacking energy: -185.495
Base-Backbone interact. energy: -1.761
local terms energy: -299.208892
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -69.509
flat angles P-C4'-P energy: -65.098
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1793.225918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.225918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.225918 (E_RNA)
where:
Base-Base interactions energy: -1233.581
where: short stacking energy: -538.407
Base-Backbone interact. energy: -0.740
local terms energy: -558.904960
where:
bonds (distance) C4'-P energy: -92.974
bonds (distance) P-C4' energy: -98.147
flat angles C4'-P-C4' energy: -117.613
flat angles P-C4'-P energy: -81.275
tors. eta vs tors. theta energy: -168.896
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: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1785.308672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.308672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.308672 (E_RNA)
where:
Base-Base interactions energy: -1271.626
where: short stacking energy: -511.257
Base-Backbone interact. energy: -1.627
local terms energy: -512.056357
where:
bonds (distance) C4'-P energy: -89.281
bonds (distance) P-C4' energy: -98.756
flat angles C4'-P-C4' energy: -113.448
flat angles P-C4'-P energy: -71.588
tors. eta vs tors. theta energy: -138.983
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1603.845405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.845405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.845405 (E_RNA)
where:
Base-Base interactions energy: -1102.948
where: short stacking energy: -475.623
Base-Backbone interact. energy: -2.446
local terms energy: -498.452186
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -93.139
flat angles C4'-P-C4' energy: -115.196
flat angles P-C4'-P energy: -66.475
tors. eta vs tors. theta energy: -130.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1546.293876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.293876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.293876 (E_RNA)
where:
Base-Base interactions energy: -1064.084
where: short stacking energy: -462.903
Base-Backbone interact. energy: -0.790
local terms energy: -481.419771
where:
bonds (distance) C4'-P energy: -80.474
bonds (distance) P-C4' energy: -94.604
flat angles C4'-P-C4' energy: -94.276
flat angles P-C4'-P energy: -70.080
tors. eta vs tors. theta energy: -141.987
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: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1492.748793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.748793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.748793 (E_RNA)
where:
Base-Base interactions energy: -1005.062
where: short stacking energy: -436.001
Base-Backbone interact. energy: -0.840
local terms energy: -486.847093
where:
bonds (distance) C4'-P energy: -97.113
bonds (distance) P-C4' energy: -88.747
flat angles C4'-P-C4' energy: -101.699
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -122.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1352.304663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.304663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.304663 (E_RNA)
where:
Base-Base interactions energy: -933.881
where: short stacking energy: -417.607
Base-Backbone interact. energy: -0.736
local terms energy: -417.687447
where:
bonds (distance) C4'-P energy: -75.518
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -62.111
tors. eta vs tors. theta energy: -114.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1255.268756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.268756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.268756 (E_RNA)
where:
Base-Base interactions energy: -828.987
where: short stacking energy: -354.899
Base-Backbone interact. energy: -2.182
local terms energy: -424.099034
where:
bonds (distance) C4'-P energy: -81.104
bonds (distance) P-C4' energy: -95.943
flat angles C4'-P-C4' energy: -92.958
flat angles P-C4'-P energy: -63.622
tors. eta vs tors. theta energy: -90.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1016.573366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.573366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.573366 (E_RNA)
where:
Base-Base interactions energy: -673.127
where: short stacking energy: -281.641
Base-Backbone interact. energy: -0.597
local terms energy: -342.849331
where:
bonds (distance) C4'-P energy: -70.535
bonds (distance) P-C4' energy: -83.510
flat angles C4'-P-C4' energy: -81.486
flat angles P-C4'-P energy: -56.577
tors. eta vs tors. theta energy: -50.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -661.929360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.929360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.929360 (E_RNA)
where:
Base-Base interactions energy: -357.804
where: short stacking energy: -187.254
Base-Backbone interact. energy: 2.133
local terms energy: -306.257810
where:
bonds (distance) C4'-P energy: -84.124
bonds (distance) P-C4' energy: -86.127
flat angles C4'-P-C4' energy: -71.598
flat angles P-C4'-P energy: -41.543
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -660.068092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.068092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.068092 (E_RNA)
where:
Base-Base interactions energy: -378.801
where: short stacking energy: -177.477
Base-Backbone interact. energy: -4.158
local terms energy: -277.108844
where:
bonds (distance) C4'-P energy: -71.071
bonds (distance) P-C4' energy: -77.513
flat angles C4'-P-C4' energy: -62.597
flat angles P-C4'-P energy: -52.162
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1781.312890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.312890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.312890 (E_RNA)
where:
Base-Base interactions energy: -1224.747
where: short stacking energy: -547.129
Base-Backbone interact. energy: -0.403
local terms energy: -556.163407
where:
bonds (distance) C4'-P energy: -96.730
bonds (distance) P-C4' energy: -104.441
flat angles C4'-P-C4' energy: -108.769
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: -170.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1781.889254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.889254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.889254 (E_RNA)
where:
Base-Base interactions energy: -1267.058
where: short stacking energy: -488.429
Base-Backbone interact. energy: 1.839
local terms energy: -516.670166
where:
bonds (distance) C4'-P energy: -98.230
bonds (distance) P-C4' energy: -94.258
flat angles C4'-P-C4' energy: -104.097
flat angles P-C4'-P energy: -81.015
tors. eta vs tors. theta energy: -139.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1611.604363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.604363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.604363 (E_RNA)
where:
Base-Base interactions energy: -1085.587
where: short stacking energy: -485.803
Base-Backbone interact. energy: 0.008
local terms energy: -526.024644
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -104.965
flat angles C4'-P-C4' energy: -118.368
flat angles P-C4'-P energy: -69.220
tors. eta vs tors. theta energy: -138.898
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: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1532.388646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.388646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.388646 (E_RNA)
where:
Base-Base interactions energy: -1069.376
where: short stacking energy: -449.457
Base-Backbone interact. energy: 0.983
local terms energy: -463.995028
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -90.444
flat angles C4'-P-C4' energy: -106.572
flat angles P-C4'-P energy: -63.650
tors. eta vs tors. theta energy: -126.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1473.591326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.591326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.591326 (E_RNA)
where:
Base-Base interactions energy: -1022.399
where: short stacking energy: -436.067
Base-Backbone interact. energy: 0.397
local terms energy: -451.589523
where:
bonds (distance) C4'-P energy: -71.805
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -89.845
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -131.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1350.487306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.487306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.487306 (E_RNA)
where:
Base-Base interactions energy: -926.251
where: short stacking energy: -380.084
Base-Backbone interact. energy: -0.703
local terms energy: -423.532920
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -89.230
flat angles C4'-P-C4' energy: -97.819
flat angles P-C4'-P energy: -65.775
tors. eta vs tors. theta energy: -94.834
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1318.255478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.255478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.255478 (E_RNA)
where:
Base-Base interactions energy: -893.807
where: short stacking energy: -393.247
Base-Backbone interact. energy: -1.385
local terms energy: -423.062987
where:
bonds (distance) C4'-P energy: -81.523
bonds (distance) P-C4' energy: -91.535
flat angles C4'-P-C4' energy: -94.429
flat angles P-C4'-P energy: -53.510
tors. eta vs tors. theta energy: -102.066
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: 285
Temperature: 1.250000
Total energy: -979.441724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.441724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.441724 (E_RNA)
where:
Base-Base interactions energy: -621.370
where: short stacking energy: -266.808
Base-Backbone interact. energy: -1.491
local terms energy: -356.580772
where:
bonds (distance) C4'-P energy: -78.616
bonds (distance) P-C4' energy: -96.465
flat angles C4'-P-C4' energy: -79.784
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -54.139
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: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -667.192783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.192783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.192783 (E_RNA)
where:
Base-Base interactions energy: -370.005
where: short stacking energy: -185.348
Base-Backbone interact. energy: 1.300
local terms energy: -298.487888
where:
bonds (distance) C4'-P energy: -73.283
bonds (distance) P-C4' energy: -96.655
flat angles C4'-P-C4' energy: -80.340
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -6.955
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -725.651789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.651789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.651789 (E_RNA)
where:
Base-Base interactions energy: -404.063
where: short stacking energy: -201.317
Base-Backbone interact. energy: 3.272
local terms energy: -324.860835
where:
bonds (distance) C4'-P energy: -79.853
bonds (distance) P-C4' energy: -70.344
flat angles C4'-P-C4' energy: -89.783
flat angles P-C4'-P energy: -53.415
tors. eta vs tors. theta energy: -31.466
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1803.750354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.750354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.750354 (E_RNA)
where:
Base-Base interactions energy: -1248.842
where: short stacking energy: -530.697
Base-Backbone interact. energy: -2.204
local terms energy: -552.704144
where:
bonds (distance) C4'-P energy: -89.003
bonds (distance) P-C4' energy: -110.277
flat angles C4'-P-C4' energy: -115.191
flat angles P-C4'-P energy: -71.219
tors. eta vs tors. theta energy: -167.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1770.810657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.810657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.810657 (E_RNA)
where:
Base-Base interactions energy: -1247.906
where: short stacking energy: -485.838
Base-Backbone interact. energy: -4.946
local terms energy: -517.959390
where:
bonds (distance) C4'-P energy: -95.126
bonds (distance) P-C4' energy: -107.118
flat angles C4'-P-C4' energy: -109.913
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -132.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1607.697856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.697856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.697856 (E_RNA)
where:
Base-Base interactions energy: -1113.854
where: short stacking energy: -461.534
Base-Backbone interact. energy: 1.105
local terms energy: -494.948701
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -92.095
flat angles C4'-P-C4' energy: -107.798
flat angles P-C4'-P energy: -74.273
tors. eta vs tors. theta energy: -130.808
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1552.022042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.022042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.022042 (E_RNA)
where:
Base-Base interactions energy: -1064.101
where: short stacking energy: -446.644
Base-Backbone interact. energy: -2.820
local terms energy: -485.101703
where:
bonds (distance) C4'-P energy: -96.028
bonds (distance) P-C4' energy: -94.547
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -127.224
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: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1449.093734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.093734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.093734 (E_RNA)
where:
Base-Base interactions energy: -972.507
where: short stacking energy: -438.308
Base-Backbone interact. energy: -1.356
local terms energy: -475.231400
where:
bonds (distance) C4'-P energy: -85.200
bonds (distance) P-C4' energy: -94.687
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -69.548
tors. eta vs tors. theta energy: -127.745
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: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1353.621492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.621492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.621492 (E_RNA)
where:
Base-Base interactions energy: -916.846
where: short stacking energy: -372.590
Base-Backbone interact. energy: -1.964
local terms energy: -434.812046
where:
bonds (distance) C4'-P energy: -82.725
bonds (distance) P-C4' energy: -92.363
flat angles C4'-P-C4' energy: -91.114
flat angles P-C4'-P energy: -66.935
tors. eta vs tors. theta energy: -101.675
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: 286
Temperature: 1.200000
Total energy: -1211.499811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.499811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.499811 (E_RNA)
where:
Base-Base interactions energy: -832.115
where: short stacking energy: -336.440
Base-Backbone interact. energy: -2.957
local terms energy: -376.427810
where:
bonds (distance) C4'-P energy: -90.635
bonds (distance) P-C4' energy: -84.422
flat angles C4'-P-C4' energy: -84.897
flat angles P-C4'-P energy: -44.193
tors. eta vs tors. theta energy: -72.281
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: 286
Temperature: 1.250000
Total energy: -944.793745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.793745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.793745 (E_RNA)
where:
Base-Base interactions energy: -578.561
where: short stacking energy: -275.787
Base-Backbone interact. energy: -1.589
local terms energy: -364.644365
where:
bonds (distance) C4'-P energy: -79.722
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -68.307
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: -63.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -723.018291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.018291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.018291 (E_RNA)
where:
Base-Base interactions energy: -435.535
where: short stacking energy: -231.673
Base-Backbone interact. energy: 6.282
local terms energy: -293.766037
where:
bonds (distance) C4'-P energy: -82.457
bonds (distance) P-C4' energy: -66.759
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: -28.774
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: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -665.726599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.726599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.726599 (E_RNA)
where:
Base-Base interactions energy: -376.944
where: short stacking energy: -190.088
Base-Backbone interact. energy: 3.292
local terms energy: -292.074718
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1767.948237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.948237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.948237 (E_RNA)
where:
Base-Base interactions energy: -1205.815
where: short stacking energy: -534.858
Base-Backbone interact. energy: -2.031
local terms energy: -560.101864
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -92.867
flat angles C4'-P-C4' energy: -119.502
flat angles P-C4'-P energy: -85.072
tors. eta vs tors. theta energy: -166.131
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: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1764.599271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.599271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.599271 (E_RNA)
where:
Base-Base interactions energy: -1222.119
where: short stacking energy: -484.010
Base-Backbone interact. energy: -3.419
local terms energy: -539.060916
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -109.916
flat angles C4'-P-C4' energy: -111.102
flat angles P-C4'-P energy: -81.735
tors. eta vs tors. theta energy: -141.543
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: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1603.666495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.666495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.666495 (E_RNA)
where:
Base-Base interactions energy: -1110.433
where: short stacking energy: -474.685
Base-Backbone interact. energy: -2.711
local terms energy: -490.522600
where:
bonds (distance) C4'-P energy: -80.896
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -106.262
flat angles P-C4'-P energy: -83.035
tors. eta vs tors. theta energy: -130.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1477.677842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.677842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.677842 (E_RNA)
where:
Base-Base interactions energy: -1033.562
where: short stacking energy: -414.672
Base-Backbone interact. energy: -0.346
local terms energy: -443.769590
where:
bonds (distance) C4'-P energy: -85.904
bonds (distance) P-C4' energy: -93.755
flat angles C4'-P-C4' energy: -94.235
flat angles P-C4'-P energy: -55.847
tors. eta vs tors. theta energy: -114.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1523.883564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.883564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.883564 (E_RNA)
where:
Base-Base interactions energy: -1067.966
where: short stacking energy: -446.623
Base-Backbone interact. energy: 2.491
local terms energy: -458.408188
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -92.572
flat angles C4'-P-C4' energy: -94.191
flat angles P-C4'-P energy: -58.619
tors. eta vs tors. theta energy: -121.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1329.872914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.872914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.872914 (E_RNA)
where:
Base-Base interactions energy: -901.434
where: short stacking energy: -355.825
Base-Backbone interact. energy: 1.662
local terms energy: -430.100316
where:
bonds (distance) C4'-P energy: -77.934
bonds (distance) P-C4' energy: -92.242
flat angles C4'-P-C4' energy: -100.764
flat angles P-C4'-P energy: -67.496
tors. eta vs tors. theta energy: -91.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1217.543722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.543722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.543722 (E_RNA)
where:
Base-Base interactions energy: -821.594
where: short stacking energy: -372.840
Base-Backbone interact. energy: -0.810
local terms energy: -395.140063
where:
bonds (distance) C4'-P energy: -87.284
bonds (distance) P-C4' energy: -74.018
flat angles C4'-P-C4' energy: -91.222
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -95.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1014.355659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.355659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.355659 (E_RNA)
where:
Base-Base interactions energy: -614.245
where: short stacking energy: -290.950
Base-Backbone interact. energy: -0.123
local terms energy: -399.987639
where:
bonds (distance) C4'-P energy: -88.615
bonds (distance) P-C4' energy: -92.311
flat angles C4'-P-C4' energy: -98.269
flat angles P-C4'-P energy: -58.617
tors. eta vs tors. theta energy: -62.176
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -692.751976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.751976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.751976 (E_RNA)
where:
Base-Base interactions energy: -409.450
where: short stacking energy: -229.048
Base-Backbone interact. energy: -3.168
local terms energy: -280.134412
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -82.340
flat angles C4'-P-C4' energy: -67.053
flat angles P-C4'-P energy: -57.483
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -714.803618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.803618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.803618 (E_RNA)
where:
Base-Base interactions energy: -413.144
where: short stacking energy: -197.665
Base-Backbone interact. energy: 1.577
local terms energy: -303.237289
where:
bonds (distance) C4'-P energy: -73.280
bonds (distance) P-C4' energy: -87.374
flat angles C4'-P-C4' energy: -80.459
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -15.048
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: 288
Temperature: 0.900000
Total energy: -1827.545568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.545568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.545568 (E_RNA)
where:
Base-Base interactions energy: -1295.204
where: short stacking energy: -516.473
Base-Backbone interact. energy: -2.828
local terms energy: -529.513796
where:
bonds (distance) C4'-P energy: -105.222
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -104.114
flat angles P-C4'-P energy: -85.333
tors. eta vs tors. theta energy: -147.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1741.615863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.615863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.615863 (E_RNA)
where:
Base-Base interactions energy: -1210.622
where: short stacking energy: -511.793
Base-Backbone interact. energy: -0.426
local terms energy: -530.568042
where:
bonds (distance) C4'-P energy: -93.574
bonds (distance) P-C4' energy: -91.810
flat angles C4'-P-C4' energy: -108.148
flat angles P-C4'-P energy: -72.398
tors. eta vs tors. theta energy: -164.638
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: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1577.194870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.194870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.194870 (E_RNA)
where:
Base-Base interactions energy: -1092.623
where: short stacking energy: -476.141
Base-Backbone interact. energy: -2.665
local terms energy: -481.907126
where:
bonds (distance) C4'-P energy: -89.234
bonds (distance) P-C4' energy: -92.597
flat angles C4'-P-C4' energy: -101.988
flat angles P-C4'-P energy: -63.477
tors. eta vs tors. theta energy: -134.611
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: 288
Temperature: 1.050000
Total energy: -1508.702301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.702301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.702301 (E_RNA)
where:
Base-Base interactions energy: -1038.453
where: short stacking energy: -462.568
Base-Backbone interact. energy: -1.321
local terms energy: -468.928288
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -86.938
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -130.216
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: 288
Temperature: 1.100000
Total energy: -1523.039100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.039100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.039100 (E_RNA)
where:
Base-Base interactions energy: -1040.709
where: short stacking energy: -469.436
Base-Backbone interact. energy: -2.828
local terms energy: -479.502998
where:
bonds (distance) C4'-P energy: -79.128
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -105.449
flat angles P-C4'-P energy: -72.533
tors. eta vs tors. theta energy: -133.509
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: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1347.830170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.830170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.830170 (E_RNA)
where:
Base-Base interactions energy: -931.369
where: short stacking energy: -402.415
Base-Backbone interact. energy: -2.229
local terms energy: -414.232924
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -82.966
flat angles C4'-P-C4' energy: -96.109
flat angles P-C4'-P energy: -59.804
tors. eta vs tors. theta energy: -103.176
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: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1223.505820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.505820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.505820 (E_RNA)
where:
Base-Base interactions energy: -816.259
where: short stacking energy: -342.906
Base-Backbone interact. energy: 2.216
local terms energy: -409.463001
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -87.984
flat angles C4'-P-C4' energy: -89.062
flat angles P-C4'-P energy: -63.976
tors. eta vs tors. theta energy: -80.179
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: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1005.195520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.195520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.195520 (E_RNA)
where:
Base-Base interactions energy: -625.308
where: short stacking energy: -299.226
Base-Backbone interact. energy: -0.063
local terms energy: -379.824392
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -84.100
flat angles P-C4'-P energy: -60.069
tors. eta vs tors. theta energy: -71.560
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: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -710.704795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.704795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.704795 (E_RNA)
where:
Base-Base interactions energy: -408.245
where: short stacking energy: -209.108
Base-Backbone interact. energy: 1.585
local terms energy: -304.044876
where:
bonds (distance) C4'-P energy: -87.833
bonds (distance) P-C4' energy: -82.237
flat angles C4'-P-C4' energy: -80.963
flat angles P-C4'-P energy: -36.048
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: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -652.365961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.365961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.365961 (E_RNA)
where:
Base-Base interactions energy: -366.578
where: short stacking energy: -173.574
Base-Backbone interact. energy: 0.967
local terms energy: -286.755642
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -99.079
flat angles C4'-P-C4' energy: -76.289
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1834.920486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.920486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.920486 (E_RNA)
where:
Base-Base interactions energy: -1304.925
where: short stacking energy: -520.184
Base-Backbone interact. energy: -2.594
local terms energy: -527.400945
where:
bonds (distance) C4'-P energy: -96.848
bonds (distance) P-C4' energy: -101.802
flat angles C4'-P-C4' energy: -107.791
flat angles P-C4'-P energy: -75.845
tors. eta vs tors. theta energy: -145.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1726.419535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.419535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.419535 (E_RNA)
where:
Base-Base interactions energy: -1185.759
where: short stacking energy: -527.591
Base-Backbone interact. energy: -3.006
local terms energy: -537.655472
where:
bonds (distance) C4'-P energy: -82.624
bonds (distance) P-C4' energy: -101.635
flat angles C4'-P-C4' energy: -112.485
flat angles P-C4'-P energy: -78.424
tors. eta vs tors. theta energy: -162.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1568.782212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.782212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.782212 (E_RNA)
where:
Base-Base interactions energy: -1080.195
where: short stacking energy: -481.677
Base-Backbone interact. energy: -1.644
local terms energy: -486.943211
where:
bonds (distance) C4'-P energy: -78.172
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -109.960
flat angles P-C4'-P energy: -70.030
tors. eta vs tors. theta energy: -132.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1558.943022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.943022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.943022 (E_RNA)
where:
Base-Base interactions energy: -1055.673
where: short stacking energy: -455.413
Base-Backbone interact. energy: -1.294
local terms energy: -501.976332
where:
bonds (distance) C4'-P energy: -93.491
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -109.417
flat angles P-C4'-P energy: -61.050
tors. eta vs tors. theta energy: -144.878
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1478.831739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.831739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.831739 (E_RNA)
where:
Base-Base interactions energy: -999.458
where: short stacking energy: -436.890
Base-Backbone interact. energy: 0.866
local terms energy: -480.239211
where:
bonds (distance) C4'-P energy: -91.707
bonds (distance) P-C4' energy: -93.923
flat angles C4'-P-C4' energy: -109.618
flat angles P-C4'-P energy: -59.476
tors. eta vs tors. theta energy: -125.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1315.348859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.348859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.348859 (E_RNA)
where:
Base-Base interactions energy: -882.250
where: short stacking energy: -374.273
Base-Backbone interact. energy: -3.126
local terms energy: -429.972743
where:
bonds (distance) C4'-P energy: -80.880
bonds (distance) P-C4' energy: -93.111
flat angles C4'-P-C4' energy: -102.147
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -99.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1270.652533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.652533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.652533 (E_RNA)
where:
Base-Base interactions energy: -880.882
where: short stacking energy: -372.180
Base-Backbone interact. energy: -3.053
local terms energy: -386.716957
where:
bonds (distance) C4'-P energy: -73.486
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -88.696
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -96.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1012.372619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.372619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.372619 (E_RNA)
where:
Base-Base interactions energy: -646.670
where: short stacking energy: -303.332
Base-Backbone interact. energy: -2.640
local terms energy: -363.062272
where:
bonds (distance) C4'-P energy: -73.827
bonds (distance) P-C4' energy: -79.924
flat angles C4'-P-C4' energy: -88.045
flat angles P-C4'-P energy: -60.673
tors. eta vs tors. theta energy: -60.593
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -735.269466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.269466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.269466 (E_RNA)
where:
Base-Base interactions energy: -404.566
where: short stacking energy: -211.239
Base-Backbone interact. energy: -3.411
local terms energy: -327.292155
where:
bonds (distance) C4'-P energy: -83.739
bonds (distance) P-C4' energy: -91.506
flat angles C4'-P-C4' energy: -82.497
flat angles P-C4'-P energy: -41.380
tors. eta vs tors. theta energy: -28.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -631.277867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.277867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.277867 (E_RNA)
where:
Base-Base interactions energy: -348.049
where: short stacking energy: -184.393
Base-Backbone interact. energy: 3.456
local terms energy: -286.685330
where:
bonds (distance) C4'-P energy: -85.612
bonds (distance) P-C4' energy: -80.339
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1828.696315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.696315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.696315 (E_RNA)
where:
Base-Base interactions energy: -1295.816
where: short stacking energy: -506.418
Base-Backbone interact. energy: -0.984
local terms energy: -531.895814
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -107.702
flat angles C4'-P-C4' energy: -104.853
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -143.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1736.238680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.238680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.238680 (E_RNA)
where:
Base-Base interactions energy: -1198.372
where: short stacking energy: -526.444
Base-Backbone interact. energy: -1.833
local terms energy: -536.032823
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -91.456
flat angles C4'-P-C4' energy: -109.060
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -167.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1590.864245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.864245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.864245 (E_RNA)
where:
Base-Base interactions energy: -1077.142
where: short stacking energy: -469.076
Base-Backbone interact. energy: 0.378
local terms energy: -514.100392
where:
bonds (distance) C4'-P energy: -99.892
bonds (distance) P-C4' energy: -92.653
flat angles C4'-P-C4' energy: -106.486
flat angles P-C4'-P energy: -83.273
tors. eta vs tors. theta energy: -131.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1557.567088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.567088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.567088 (E_RNA)
where:
Base-Base interactions energy: -1078.306
where: short stacking energy: -449.941
Base-Backbone interact. energy: -1.019
local terms energy: -478.242505
where:
bonds (distance) C4'-P energy: -90.290
bonds (distance) P-C4' energy: -94.912
flat angles C4'-P-C4' energy: -97.929
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -126.847
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: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1448.928328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.928328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.928328 (E_RNA)
where:
Base-Base interactions energy: -1007.432
where: short stacking energy: -433.235
Base-Backbone interact. energy: -2.372
local terms energy: -439.124734
where:
bonds (distance) C4'-P energy: -79.305
bonds (distance) P-C4' energy: -87.162
flat angles C4'-P-C4' energy: -103.300
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -116.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1321.138546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.138546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.138546 (E_RNA)
where:
Base-Base interactions energy: -899.008
where: short stacking energy: -392.887
Base-Backbone interact. energy: -2.071
local terms energy: -420.059893
where:
bonds (distance) C4'-P energy: -83.620
bonds (distance) P-C4' energy: -88.203
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -52.866
tors. eta vs tors. theta energy: -84.457
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: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1267.072382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.072382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.072382 (E_RNA)
where:
Base-Base interactions energy: -847.990
where: short stacking energy: -370.151
Base-Backbone interact. energy: -3.353
local terms energy: -415.728899
where:
bonds (distance) C4'-P energy: -80.291
bonds (distance) P-C4' energy: -84.687
flat angles C4'-P-C4' energy: -86.944
flat angles P-C4'-P energy: -68.786
tors. eta vs tors. theta energy: -95.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1048.695340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.695340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.695340 (E_RNA)
where:
Base-Base interactions energy: -687.427
where: short stacking energy: -314.605
Base-Backbone interact. energy: 0.120
local terms energy: -361.388929
where:
bonds (distance) C4'-P energy: -82.613
bonds (distance) P-C4' energy: -69.405
flat angles C4'-P-C4' energy: -92.505
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -69.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -730.485124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.485124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.485124 (E_RNA)
where:
Base-Base interactions energy: -411.103
where: short stacking energy: -208.172
Base-Backbone interact. energy: -1.798
local terms energy: -317.583819
where:
bonds (distance) C4'-P energy: -60.398
bonds (distance) P-C4' energy: -91.720
flat angles C4'-P-C4' energy: -87.408
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -15.933
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: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -657.704209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.704209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.704209 (E_RNA)
where:
Base-Base interactions energy: -372.672
where: short stacking energy: -198.953
Base-Backbone interact. energy: -0.793
local terms energy: -284.239264
where:
bonds (distance) C4'-P energy: -71.699
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -73.645
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1804.537004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.537004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.537004 (E_RNA)
where:
Base-Base interactions energy: -1274.464
where: short stacking energy: -505.409
Base-Backbone interact. energy: -3.220
local terms energy: -526.852601
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -112.688
flat angles P-C4'-P energy: -78.946
tors. eta vs tors. theta energy: -146.586
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: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1708.983498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.983498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.983498 (E_RNA)
where:
Base-Base interactions energy: -1161.577
where: short stacking energy: -503.182
Base-Backbone interact. energy: -0.490
local terms energy: -546.916910
where:
bonds (distance) C4'-P energy: -95.518
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -109.669
flat angles P-C4'-P energy: -88.483
tors. eta vs tors. theta energy: -160.556
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1573.056357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.056357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.056357 (E_RNA)
where:
Base-Base interactions energy: -1073.283
where: short stacking energy: -440.766
Base-Backbone interact. energy: -0.524
local terms energy: -499.249015
where:
bonds (distance) C4'-P energy: -92.070
bonds (distance) P-C4' energy: -97.292
flat angles C4'-P-C4' energy: -107.770
flat angles P-C4'-P energy: -73.506
tors. eta vs tors. theta energy: -128.611
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: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1574.701122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.701122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.701122 (E_RNA)
where:
Base-Base interactions energy: -1076.336
where: short stacking energy: -463.337
Base-Backbone interact. energy: -2.032
local terms energy: -496.333105
where:
bonds (distance) C4'-P energy: -84.610
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -113.356
flat angles P-C4'-P energy: -64.061
tors. eta vs tors. theta energy: -136.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1502.192845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.192845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.192845 (E_RNA)
where:
Base-Base interactions energy: -1037.358
where: short stacking energy: -448.648
Base-Backbone interact. energy: 0.910
local terms energy: -465.744420
where:
bonds (distance) C4'-P energy: -90.936
bonds (distance) P-C4' energy: -86.411
flat angles C4'-P-C4' energy: -95.657
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -125.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1303.673472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.673472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.673472 (E_RNA)
where:
Base-Base interactions energy: -888.856
where: short stacking energy: -363.703
Base-Backbone interact. energy: -1.296
local terms energy: -413.521525
where:
bonds (distance) C4'-P energy: -82.658
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -97.610
flat angles P-C4'-P energy: -65.542
tors. eta vs tors. theta energy: -85.878
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1205.578455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.578455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.578455 (E_RNA)
where:
Base-Base interactions energy: -806.633
where: short stacking energy: -312.522
Base-Backbone interact. energy: -2.015
local terms energy: -396.930284
where:
bonds (distance) C4'-P energy: -73.585
bonds (distance) P-C4' energy: -88.525
flat angles C4'-P-C4' energy: -89.671
flat angles P-C4'-P energy: -65.611
tors. eta vs tors. theta energy: -79.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1038.322671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.322671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.322671 (E_RNA)
where:
Base-Base interactions energy: -679.955
where: short stacking energy: -323.998
Base-Backbone interact. energy: -1.826
local terms energy: -356.541564
where:
bonds (distance) C4'-P energy: -59.608
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -89.108
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -55.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -760.067198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.067198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.067198 (E_RNA)
where:
Base-Base interactions energy: -427.358
where: short stacking energy: -228.032
Base-Backbone interact. energy: -1.184
local terms energy: -331.525527
where:
bonds (distance) C4'-P energy: -77.127
bonds (distance) P-C4' energy: -87.299
flat angles C4'-P-C4' energy: -73.929
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -29.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -636.688843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.688843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.688843 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -184.698
Base-Backbone interact. energy: -1.998
local terms energy: -293.306227
where:
bonds (distance) C4'-P energy: -80.194
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -80.303
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -9.389
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: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1811.124491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.124491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.124491 (E_RNA)
where:
Base-Base interactions energy: -1282.612
where: short stacking energy: -507.746
Base-Backbone interact. energy: 1.547
local terms energy: -530.059393
where:
bonds (distance) C4'-P energy: -93.184
bonds (distance) P-C4' energy: -109.295
flat angles C4'-P-C4' energy: -115.198
flat angles P-C4'-P energy: -65.859
tors. eta vs tors. theta energy: -146.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1715.918445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.918445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.918445 (E_RNA)
where:
Base-Base interactions energy: -1179.838
where: short stacking energy: -504.104
Base-Backbone interact. energy: -0.841
local terms energy: -535.239396
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -98.707
flat angles C4'-P-C4' energy: -105.145
flat angles P-C4'-P energy: -67.609
tors. eta vs tors. theta energy: -165.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1583.419864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.419864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.419864 (E_RNA)
where:
Base-Base interactions energy: -1067.709
where: short stacking energy: -473.546
Base-Backbone interact. energy: -1.094
local terms energy: -514.617553
where:
bonds (distance) C4'-P energy: -105.236
bonds (distance) P-C4' energy: -91.250
flat angles C4'-P-C4' energy: -111.930
flat angles P-C4'-P energy: -62.497
tors. eta vs tors. theta energy: -143.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1540.418733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.418733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.418733 (E_RNA)
where:
Base-Base interactions energy: -1065.406
where: short stacking energy: -463.569
Base-Backbone interact. energy: -1.429
local terms energy: -473.583244
where:
bonds (distance) C4'-P energy: -86.905
bonds (distance) P-C4' energy: -86.061
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -127.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1542.094012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.094012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.094012 (E_RNA)
where:
Base-Base interactions energy: -1075.488
where: short stacking energy: -464.258
Base-Backbone interact. energy: -0.515
local terms energy: -466.090511
where:
bonds (distance) C4'-P energy: -82.926
bonds (distance) P-C4' energy: -76.601
flat angles C4'-P-C4' energy: -108.789
flat angles P-C4'-P energy: -61.637
tors. eta vs tors. theta energy: -136.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1331.451715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.451715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.451715 (E_RNA)
where:
Base-Base interactions energy: -905.675
where: short stacking energy: -405.837
Base-Backbone interact. energy: -2.706
local terms energy: -423.070276
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -71.401
flat angles C4'-P-C4' energy: -98.319
flat angles P-C4'-P energy: -69.315
tors. eta vs tors. theta energy: -108.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1225.906757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.906757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.906757 (E_RNA)
where:
Base-Base interactions energy: -824.914
where: short stacking energy: -360.242
Base-Backbone interact. energy: -2.483
local terms energy: -398.510524
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -95.566
flat angles C4'-P-C4' energy: -86.440
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -85.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -975.553403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.553403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.553403 (E_RNA)
where:
Base-Base interactions energy: -623.830
where: short stacking energy: -280.110
Base-Backbone interact. energy: -1.957
local terms energy: -349.766345
where:
bonds (distance) C4'-P energy: -93.323
bonds (distance) P-C4' energy: -84.293
flat angles C4'-P-C4' energy: -73.167
flat angles P-C4'-P energy: -47.349
tors. eta vs tors. theta energy: -51.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -753.347508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.347508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.347508 (E_RNA)
where:
Base-Base interactions energy: -450.684
where: short stacking energy: -230.998
Base-Backbone interact. energy: 6.186
local terms energy: -308.849491
where:
bonds (distance) C4'-P energy: -93.303
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -34.744
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: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -623.491682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.491682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.491682 (E_RNA)
where:
Base-Base interactions energy: -333.319
where: short stacking energy: -169.560
Base-Backbone interact. energy: 1.473
local terms energy: -291.644838
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -74.834
flat angles C4'-P-C4' energy: -56.095
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1819.746729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.746729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.746729 (E_RNA)
where:
Base-Base interactions energy: -1272.524
where: short stacking energy: -507.808
Base-Backbone interact. energy: -0.010
local terms energy: -547.212236
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -95.803
flat angles C4'-P-C4' energy: -122.644
flat angles P-C4'-P energy: -75.240
tors. eta vs tors. theta energy: -147.522
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1726.544502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.544502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.544502 (E_RNA)
where:
Base-Base interactions energy: -1198.312
where: short stacking energy: -541.835
Base-Backbone interact. energy: -2.809
local terms energy: -525.423761
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -70.237
tors. eta vs tors. theta energy: -168.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1580.815189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.815189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.815189 (E_RNA)
where:
Base-Base interactions energy: -1097.588
where: short stacking energy: -476.974
Base-Backbone interact. energy: -3.420
local terms energy: -479.807199
where:
bonds (distance) C4'-P energy: -69.546
bonds (distance) P-C4' energy: -93.384
flat angles C4'-P-C4' energy: -105.267
flat angles P-C4'-P energy: -75.974
tors. eta vs tors. theta energy: -135.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1537.117416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.117416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.117416 (E_RNA)
where:
Base-Base interactions energy: -1042.933
where: short stacking energy: -460.989
Base-Backbone interact. energy: -3.281
local terms energy: -490.903122
where:
bonds (distance) C4'-P energy: -91.621
bonds (distance) P-C4' energy: -88.801
flat angles C4'-P-C4' energy: -102.821
flat angles P-C4'-P energy: -72.444
tors. eta vs tors. theta energy: -135.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1498.915121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.915121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.915121 (E_RNA)
where:
Base-Base interactions energy: -1031.856
where: short stacking energy: -459.737
Base-Backbone interact. energy: -2.364
local terms energy: -464.695166
where:
bonds (distance) C4'-P energy: -89.539
bonds (distance) P-C4' energy: -90.075
flat angles C4'-P-C4' energy: -102.308
flat angles P-C4'-P energy: -51.596
tors. eta vs tors. theta energy: -131.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1326.417503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.417503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.417503 (E_RNA)
where:
Base-Base interactions energy: -898.028
where: short stacking energy: -396.017
Base-Backbone interact. energy: -2.104
local terms energy: -426.286150
where:
bonds (distance) C4'-P energy: -77.013
bonds (distance) P-C4' energy: -88.037
flat angles C4'-P-C4' energy: -95.594
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -102.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1202.180494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.180494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.180494 (E_RNA)
where:
Base-Base interactions energy: -835.291
where: short stacking energy: -335.710
Base-Backbone interact. energy: -3.595
local terms energy: -363.294049
where:
bonds (distance) C4'-P energy: -81.107
bonds (distance) P-C4' energy: -66.778
flat angles C4'-P-C4' energy: -83.876
flat angles P-C4'-P energy: -55.400
tors. eta vs tors. theta energy: -76.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1016.084690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.084690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.084690 (E_RNA)
where:
Base-Base interactions energy: -651.094
where: short stacking energy: -309.034
Base-Backbone interact. energy: 0.609
local terms energy: -365.599499
where:
bonds (distance) C4'-P energy: -79.152
bonds (distance) P-C4' energy: -93.070
flat angles C4'-P-C4' energy: -76.884
flat angles P-C4'-P energy: -51.096
tors. eta vs tors. theta energy: -65.397
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -719.217635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.217635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.217635 (E_RNA)
where:
Base-Base interactions energy: -413.745
where: short stacking energy: -209.536
Base-Backbone interact. energy: -0.972
local terms energy: -304.500732
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -83.239
flat angles C4'-P-C4' energy: -73.971
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -589.814510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.814510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.814510 (E_RNA)
where:
Base-Base interactions energy: -323.345
where: short stacking energy: -188.026
Base-Backbone interact. energy: -1.229
local terms energy: -265.240768
where:
bonds (distance) C4'-P energy: -70.228
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -67.708
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1825.306666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.306666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.306666 (E_RNA)
where:
Base-Base interactions energy: -1298.854
where: short stacking energy: -518.889
Base-Backbone interact. energy: 3.892
local terms energy: -530.345293
where:
bonds (distance) C4'-P energy: -97.540
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -112.187
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -148.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1732.269376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.269376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.269376 (E_RNA)
where:
Base-Base interactions energy: -1193.551
where: short stacking energy: -501.892
Base-Backbone interact. energy: 0.338
local terms energy: -539.056441
where:
bonds (distance) C4'-P energy: -89.662
bonds (distance) P-C4' energy: -94.531
flat angles C4'-P-C4' energy: -113.918
flat angles P-C4'-P energy: -82.514
tors. eta vs tors. theta energy: -158.431
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: 294
Temperature: 1.000000
Total energy: -1587.957697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.957697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.957697 (E_RNA)
where:
Base-Base interactions energy: -1081.648
where: short stacking energy: -480.551
Base-Backbone interact. energy: -0.644
local terms energy: -505.666104
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -96.111
flat angles C4'-P-C4' energy: -99.739
flat angles P-C4'-P energy: -73.395
tors. eta vs tors. theta energy: -133.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1541.398357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.398357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.398357 (E_RNA)
where:
Base-Base interactions energy: -1067.027
where: short stacking energy: -467.408
Base-Backbone interact. energy: -1.092
local terms energy: -473.279236
where:
bonds (distance) C4'-P energy: -81.158
bonds (distance) P-C4' energy: -81.767
flat angles C4'-P-C4' energy: -109.611
flat angles P-C4'-P energy: -67.729
tors. eta vs tors. theta energy: -133.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1514.057189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.057189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.057189 (E_RNA)
where:
Base-Base interactions energy: -1037.171
where: short stacking energy: -448.114
Base-Backbone interact. energy: -3.794
local terms energy: -473.092647
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -87.696
flat angles C4'-P-C4' energy: -106.836
flat angles P-C4'-P energy: -63.530
tors. eta vs tors. theta energy: -122.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1336.961198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.961198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.961198 (E_RNA)
where:
Base-Base interactions energy: -899.824
where: short stacking energy: -391.876
Base-Backbone interact. energy: -0.920
local terms energy: -436.217370
where:
bonds (distance) C4'-P energy: -86.094
bonds (distance) P-C4' energy: -83.988
flat angles C4'-P-C4' energy: -105.656
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -102.743
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: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1192.410346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.410346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.410346 (E_RNA)
where:
Base-Base interactions energy: -828.623
where: short stacking energy: -325.858
Base-Backbone interact. energy: -0.418
local terms energy: -363.369580
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -77.844
flat angles C4'-P-C4' energy: -92.234
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -62.000
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: 294
Temperature: 1.250000
Total energy: -997.070905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.070905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.070905 (E_RNA)
where:
Base-Base interactions energy: -628.469
where: short stacking energy: -277.329
Base-Backbone interact. energy: 2.151
local terms energy: -370.753072
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -95.691
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -58.648
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: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -662.454338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.454338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.454338 (E_RNA)
where:
Base-Base interactions energy: -361.063
where: short stacking energy: -199.950
Base-Backbone interact. energy: -0.594
local terms energy: -300.796537
where:
bonds (distance) C4'-P energy: -79.083
bonds (distance) P-C4' energy: -79.649
flat angles C4'-P-C4' energy: -79.503
flat angles P-C4'-P energy: -51.205
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -659.342608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.342608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.342608 (E_RNA)
where:
Base-Base interactions energy: -352.633
where: short stacking energy: -175.759
Base-Backbone interact. energy: -0.165
local terms energy: -306.544307
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -95.888
flat angles P-C4'-P energy: -37.867
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: 295
Temperature: 0.900000
Total energy: -1839.741586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.741586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.741586 (E_RNA)
where:
Base-Base interactions energy: -1300.325
where: short stacking energy: -516.174
Base-Backbone interact. energy: -3.200
local terms energy: -536.216209
where:
bonds (distance) C4'-P energy: -88.149
bonds (distance) P-C4' energy: -95.690
flat angles C4'-P-C4' energy: -116.350
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -154.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1746.347057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.347057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.347057 (E_RNA)
where:
Base-Base interactions energy: -1207.105
where: short stacking energy: -519.072
Base-Backbone interact. energy: -2.737
local terms energy: -536.505031
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -92.878
flat angles C4'-P-C4' energy: -118.163
flat angles P-C4'-P energy: -69.139
tors. eta vs tors. theta energy: -163.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1625.234732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.234732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.234732 (E_RNA)
where:
Base-Base interactions energy: -1126.071
where: short stacking energy: -489.869
Base-Backbone interact. energy: 0.131
local terms energy: -499.295165
where:
bonds (distance) C4'-P energy: -91.461
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -106.135
flat angles P-C4'-P energy: -70.897
tors. eta vs tors. theta energy: -131.987
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: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1561.114205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.114205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.114205 (E_RNA)
where:
Base-Base interactions energy: -1082.345
where: short stacking energy: -467.031
Base-Backbone interact. energy: 2.325
local terms energy: -481.094392
where:
bonds (distance) C4'-P energy: -86.127
bonds (distance) P-C4' energy: -88.433
flat angles C4'-P-C4' energy: -102.617
flat angles P-C4'-P energy: -63.294
tors. eta vs tors. theta energy: -140.624
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: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1516.846413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.846413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.846413 (E_RNA)
where:
Base-Base interactions energy: -1027.184
where: short stacking energy: -438.812
Base-Backbone interact. energy: -2.458
local terms energy: -487.203764
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -95.625
flat angles C4'-P-C4' energy: -112.381
flat angles P-C4'-P energy: -67.556
tors. eta vs tors. theta energy: -120.561
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: 295
Temperature: 1.150000
Total energy: -1324.285539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.285539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.285539 (E_RNA)
where:
Base-Base interactions energy: -911.155
where: short stacking energy: -405.080
Base-Backbone interact. energy: -2.221
local terms energy: -410.908808
where:
bonds (distance) C4'-P energy: -90.511
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -89.339
flat angles P-C4'-P energy: -57.799
tors. eta vs tors. theta energy: -103.800
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: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1233.069037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.069037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.069037 (E_RNA)
where:
Base-Base interactions energy: -815.607
where: short stacking energy: -364.344
Base-Backbone interact. energy: 1.437
local terms energy: -418.899401
where:
bonds (distance) C4'-P energy: -79.080
bonds (distance) P-C4' energy: -78.168
flat angles C4'-P-C4' energy: -101.257
flat angles P-C4'-P energy: -64.955
tors. eta vs tors. theta energy: -95.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -965.638246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.638246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.638246 (E_RNA)
where:
Base-Base interactions energy: -632.965
where: short stacking energy: -281.551
Base-Backbone interact. energy: -1.449
local terms energy: -331.223833
where:
bonds (distance) C4'-P energy: -69.301
bonds (distance) P-C4' energy: -77.109
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -68.618
tors. eta vs tors. theta energy: -53.793
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -596.319090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.319090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.319090 (E_RNA)
where:
Base-Base interactions energy: -291.272
where: short stacking energy: -179.840
Base-Backbone interact. energy: -1.256
local terms energy: -303.790742
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -85.813
flat angles C4'-P-C4' energy: -83.663
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: -13.637
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: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -667.969964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.969964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.969964 (E_RNA)
where:
Base-Base interactions energy: -376.591
where: short stacking energy: -189.652
Base-Backbone interact. energy: 5.782
local terms energy: -297.160899
where:
bonds (distance) C4'-P energy: -74.428
bonds (distance) P-C4' energy: -81.038
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -49.626
tors. eta vs tors. theta energy: -14.813
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: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1843.459362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.459362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.459362 (E_RNA)
where:
Base-Base interactions energy: -1320.251
where: short stacking energy: -530.082
Base-Backbone interact. energy: -0.837
local terms energy: -522.370971
where:
bonds (distance) C4'-P energy: -95.398
bonds (distance) P-C4' energy: -87.035
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -154.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1728.824372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.824372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.824372 (E_RNA)
where:
Base-Base interactions energy: -1208.873
where: short stacking energy: -517.597
Base-Backbone interact. energy: -2.807
local terms energy: -517.143898
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -97.569
flat angles C4'-P-C4' energy: -110.163
flat angles P-C4'-P energy: -64.326
tors. eta vs tors. theta energy: -163.901
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: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1594.221543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.221543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.221543 (E_RNA)
where:
Base-Base interactions energy: -1092.496
where: short stacking energy: -466.262
Base-Backbone interact. energy: -0.617
local terms energy: -501.108501
where:
bonds (distance) C4'-P energy: -101.489
bonds (distance) P-C4' energy: -90.836
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -138.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1613.433456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.433456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.433456 (E_RNA)
where:
Base-Base interactions energy: -1093.941
where: short stacking energy: -469.920
Base-Backbone interact. energy: -1.573
local terms energy: -517.919311
where:
bonds (distance) C4'-P energy: -90.148
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -81.508
tors. eta vs tors. theta energy: -142.152
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1517.199581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.199581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.199581 (E_RNA)
where:
Base-Base interactions energy: -1069.131
where: short stacking energy: -433.976
Base-Backbone interact. energy: 1.237
local terms energy: -449.305564
where:
bonds (distance) C4'-P energy: -73.386
bonds (distance) P-C4' energy: -89.186
flat angles C4'-P-C4' energy: -100.674
flat angles P-C4'-P energy: -70.894
tors. eta vs tors. theta energy: -115.167
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: 296
Temperature: 1.150000
Total energy: -1345.410979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.410979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.410979 (E_RNA)
where:
Base-Base interactions energy: -908.570
where: short stacking energy: -408.706
Base-Backbone interact. energy: 2.116
local terms energy: -438.956399
where:
bonds (distance) C4'-P energy: -86.807
bonds (distance) P-C4' energy: -87.500
flat angles C4'-P-C4' energy: -99.231
flat angles P-C4'-P energy: -58.677
tors. eta vs tors. theta energy: -106.741
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: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1237.752836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.752836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.752836 (E_RNA)
where:
Base-Base interactions energy: -837.015
where: short stacking energy: -373.331
Base-Backbone interact. energy: -1.365
local terms energy: -399.372551
where:
bonds (distance) C4'-P energy: -81.123
bonds (distance) P-C4' energy: -74.393
flat angles C4'-P-C4' energy: -94.716
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: -92.722
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: 296
Temperature: 1.250000
Total energy: -995.610950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.610950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.610950 (E_RNA)
where:
Base-Base interactions energy: -661.130
where: short stacking energy: -284.941
Base-Backbone interact. energy: -0.647
local terms energy: -333.833411
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -82.079
flat angles C4'-P-C4' energy: -84.379
flat angles P-C4'-P energy: -54.024
tors. eta vs tors. theta energy: -50.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -707.534792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.534792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.534792 (E_RNA)
where:
Base-Base interactions energy: -407.318
where: short stacking energy: -195.083
Base-Backbone interact. energy: 0.523
local terms energy: -300.740157
where:
bonds (distance) C4'-P energy: -69.678
bonds (distance) P-C4' energy: -83.281
flat angles C4'-P-C4' energy: -78.502
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -598.470812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.470812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.470812 (E_RNA)
where:
Base-Base interactions energy: -329.933
where: short stacking energy: -195.935
Base-Backbone interact. energy: 0.487
local terms energy: -269.024909
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -69.881
flat angles P-C4'-P energy: -47.184
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1830.929353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.929353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.929353 (E_RNA)
where:
Base-Base interactions energy: -1292.607
where: short stacking energy: -512.084
Base-Backbone interact. energy: -4.892
local terms energy: -533.430815
where:
bonds (distance) C4'-P energy: -96.329
bonds (distance) P-C4' energy: -95.426
flat angles C4'-P-C4' energy: -108.585
flat angles P-C4'-P energy: -84.131
tors. eta vs tors. theta energy: -148.961
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1694.097169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.097169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.097169 (E_RNA)
where:
Base-Base interactions energy: -1176.307
where: short stacking energy: -510.092
Base-Backbone interact. energy: -0.813
local terms energy: -516.977103
where:
bonds (distance) C4'-P energy: -88.803
bonds (distance) P-C4' energy: -78.355
flat angles C4'-P-C4' energy: -105.592
flat angles P-C4'-P energy: -78.316
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: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1613.460331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.460331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.460331 (E_RNA)
where:
Base-Base interactions energy: -1125.769
where: short stacking energy: -477.762
Base-Backbone interact. energy: 0.920
local terms energy: -488.611225
where:
bonds (distance) C4'-P energy: -96.176
bonds (distance) P-C4' energy: -86.303
flat angles C4'-P-C4' energy: -104.860
flat angles P-C4'-P energy: -64.482
tors. eta vs tors. theta energy: -136.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1578.391960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.391960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.391960 (E_RNA)
where:
Base-Base interactions energy: -1081.092
where: short stacking energy: -453.261
Base-Backbone interact. energy: -3.615
local terms energy: -493.685724
where:
bonds (distance) C4'-P energy: -97.342
bonds (distance) P-C4' energy: -96.078
flat angles C4'-P-C4' energy: -110.202
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -124.212
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: 297
Temperature: 1.100000
Total energy: -1510.298763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.298763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.298763 (E_RNA)
where:
Base-Base interactions energy: -1024.203
where: short stacking energy: -450.375
Base-Backbone interact. energy: -4.846
local terms energy: -481.250020
where:
bonds (distance) C4'-P energy: -100.978
bonds (distance) P-C4' energy: -86.507
flat angles C4'-P-C4' energy: -103.407
flat angles P-C4'-P energy: -77.064
tors. eta vs tors. theta energy: -113.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1325.762296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.762296 (E_RNA)
where:
Base-Base interactions energy: -871.490
where: short stacking energy: -398.906
Base-Backbone interact. energy: -1.642
local terms energy: -452.630558
where:
bonds (distance) C4'-P energy: -74.001
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -104.358
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: -108.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1181.493743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.493743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.493743 (E_RNA)
where:
Base-Base interactions energy: -804.492
where: short stacking energy: -330.176
Base-Backbone interact. energy: -1.116
local terms energy: -375.886260
where:
bonds (distance) C4'-P energy: -87.085
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -75.175
flat angles P-C4'-P energy: -58.099
tors. eta vs tors. theta energy: -65.784
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: 297
Temperature: 1.250000
Total energy: -988.821990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.821990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.821990 (E_RNA)
where:
Base-Base interactions energy: -652.322
where: short stacking energy: -295.588
Base-Backbone interact. energy: 2.157
local terms energy: -338.656388
where:
bonds (distance) C4'-P energy: -72.373
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -82.821
flat angles P-C4'-P energy: -48.397
tors. eta vs tors. theta energy: -57.786
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -717.467589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.467589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.467589 (E_RNA)
where:
Base-Base interactions energy: -424.936
where: short stacking energy: -216.188
Base-Backbone interact. energy: 7.191
local terms energy: -299.723395
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -81.716
flat angles C4'-P-C4' energy: -73.064
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -673.774756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.774756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.774756 (E_RNA)
where:
Base-Base interactions energy: -393.936
where: short stacking energy: -172.763
Base-Backbone interact. energy: 0.716
local terms energy: -280.555190
where:
bonds (distance) C4'-P energy: -82.320
bonds (distance) P-C4' energy: -77.139
flat angles C4'-P-C4' energy: -78.481
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1830.642469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.642469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.642469 (E_RNA)
where:
Base-Base interactions energy: -1289.485
where: short stacking energy: -511.622
Base-Backbone interact. energy: -3.316
local terms energy: -537.841338
where:
bonds (distance) C4'-P energy: -84.902
bonds (distance) P-C4' energy: -101.727
flat angles C4'-P-C4' energy: -114.909
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -156.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1709.657441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.657441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.657441 (E_RNA)
where:
Base-Base interactions energy: -1173.874
where: short stacking energy: -529.772
Base-Backbone interact. energy: -1.607
local terms energy: -534.176721
where:
bonds (distance) C4'-P energy: -97.670
bonds (distance) P-C4' energy: -79.658
flat angles C4'-P-C4' energy: -115.807
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -163.822
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: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1622.556761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.556761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.556761 (E_RNA)
where:
Base-Base interactions energy: -1146.674
where: short stacking energy: -503.386
Base-Backbone interact. energy: 0.041
local terms energy: -475.923410
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -82.856
flat angles C4'-P-C4' energy: -101.489
flat angles P-C4'-P energy: -59.949
tors. eta vs tors. theta energy: -136.501
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: 298
Temperature: 1.050000
Total energy: -1562.291829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.291829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.291829 (E_RNA)
where:
Base-Base interactions energy: -1124.560
where: short stacking energy: -472.089
Base-Backbone interact. energy: -0.610
local terms energy: -437.121686
where:
bonds (distance) C4'-P energy: -73.209
bonds (distance) P-C4' energy: -81.945
flat angles C4'-P-C4' energy: -103.426
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -124.130
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1512.952038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.952038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.952038 (E_RNA)
where:
Base-Base interactions energy: -1031.023
where: short stacking energy: -438.178
Base-Backbone interact. energy: 2.239
local terms energy: -484.167692
where:
bonds (distance) C4'-P energy: -89.871
bonds (distance) P-C4' energy: -95.947
flat angles C4'-P-C4' energy: -104.614
flat angles P-C4'-P energy: -62.450
tors. eta vs tors. theta energy: -131.285
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: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1336.886180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.886180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.886180 (E_RNA)
where:
Base-Base interactions energy: -925.190
where: short stacking energy: -398.035
Base-Backbone interact. energy: -2.475
local terms energy: -409.220471
where:
bonds (distance) C4'-P energy: -79.756
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -93.725
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: -104.341
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: 298
Temperature: 1.200000
Total energy: -1160.539688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.539688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.539688 (E_RNA)
where:
Base-Base interactions energy: -762.177
where: short stacking energy: -324.219
Base-Backbone interact. energy: -0.875
local terms energy: -397.487774
where:
bonds (distance) C4'-P energy: -90.674
bonds (distance) P-C4' energy: -103.292
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -75.532
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: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -966.877057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.877057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.877057 (E_RNA)
where:
Base-Base interactions energy: -613.384
where: short stacking energy: -251.546
Base-Backbone interact. energy: -2.990
local terms energy: -350.502704
where:
bonds (distance) C4'-P energy: -77.286
bonds (distance) P-C4' energy: -81.109
flat angles C4'-P-C4' energy: -82.088
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -51.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -751.113649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.113649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.113649 (E_RNA)
where:
Base-Base interactions energy: -453.313
where: short stacking energy: -226.110
Base-Backbone interact. energy: -2.452
local terms energy: -295.348570
where:
bonds (distance) C4'-P energy: -72.510
bonds (distance) P-C4' energy: -69.621
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -44.043
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -707.197629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.197629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.197629 (E_RNA)
where:
Base-Base interactions energy: -450.967
where: short stacking energy: -232.352
Base-Backbone interact. energy: 0.566
local terms energy: -256.796663
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -74.096
flat angles P-C4'-P energy: -34.128
tors. eta vs tors. theta energy: -28.506
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: 299
Temperature: 0.900000
Total energy: -1821.976071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.976071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.976071 (E_RNA)
where:
Base-Base interactions energy: -1284.906
where: short stacking energy: -516.984
Base-Backbone interact. energy: -4.833
local terms energy: -532.237761
where:
bonds (distance) C4'-P energy: -100.913
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -111.974
flat angles P-C4'-P energy: -76.295
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1731.546801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.546801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.546801 (E_RNA)
where:
Base-Base interactions energy: -1171.719
where: short stacking energy: -526.297
Base-Backbone interact. energy: -0.705
local terms energy: -559.123135
where:
bonds (distance) C4'-P energy: -103.558
bonds (distance) P-C4' energy: -92.652
flat angles C4'-P-C4' energy: -109.485
flat angles P-C4'-P energy: -83.446
tors. eta vs tors. theta energy: -169.981
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1679.720762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.720762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.720762 (E_RNA)
where:
Base-Base interactions energy: -1187.034
where: short stacking energy: -484.294
Base-Backbone interact. energy: -1.025
local terms energy: -491.662576
where:
bonds (distance) C4'-P energy: -86.470
bonds (distance) P-C4' energy: -89.860
flat angles C4'-P-C4' energy: -106.134
flat angles P-C4'-P energy: -71.661
tors. eta vs tors. theta energy: -137.537
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: 299
Temperature: 1.050000
Total energy: -1601.073688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.073688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.073688 (E_RNA)
where:
Base-Base interactions energy: -1107.005
where: short stacking energy: -453.570
Base-Backbone interact. energy: -2.030
local terms energy: -492.039221
where:
bonds (distance) C4'-P energy: -102.818
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -104.707
flat angles P-C4'-P energy: -67.165
tors. eta vs tors. theta energy: -133.103
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: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1496.502810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.502810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.502810 (E_RNA)
where:
Base-Base interactions energy: -1051.324
where: short stacking energy: -446.998
Base-Backbone interact. energy: -1.194
local terms energy: -443.985656
where:
bonds (distance) C4'-P energy: -79.233
bonds (distance) P-C4' energy: -86.046
flat angles C4'-P-C4' energy: -101.901
flat angles P-C4'-P energy: -59.905
tors. eta vs tors. theta energy: -116.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1290.257735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.257735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.257735 (E_RNA)
where:
Base-Base interactions energy: -868.851
where: short stacking energy: -393.612
Base-Backbone interact. energy: -0.421
local terms energy: -420.985179
where:
bonds (distance) C4'-P energy: -86.680
bonds (distance) P-C4' energy: -93.370
flat angles C4'-P-C4' energy: -90.110
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -100.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1250.533446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.533446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.533446 (E_RNA)
where:
Base-Base interactions energy: -873.639
where: short stacking energy: -365.649
Base-Backbone interact. energy: -0.936
local terms energy: -375.957920
where:
bonds (distance) C4'-P energy: -72.884
bonds (distance) P-C4' energy: -81.061
flat angles C4'-P-C4' energy: -91.212
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -80.603
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: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -994.252276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.252276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.252276 (E_RNA)
where:
Base-Base interactions energy: -628.533
where: short stacking energy: -307.417
Base-Backbone interact. energy: 0.741
local terms energy: -366.459541
where:
bonds (distance) C4'-P energy: -86.705
bonds (distance) P-C4' energy: -74.615
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -55.393
tors. eta vs tors. theta energy: -63.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -750.975572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.975572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.975572 (E_RNA)
where:
Base-Base interactions energy: -447.347
where: short stacking energy: -206.178
Base-Backbone interact. energy: 0.100
local terms energy: -303.729178
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -93.569
flat angles C4'-P-C4' energy: -78.457
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -681.546135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.546135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.546135 (E_RNA)
where:
Base-Base interactions energy: -394.000
where: short stacking energy: -178.791
Base-Backbone interact. energy: 1.374
local terms energy: -288.920139
where:
bonds (distance) C4'-P energy: -76.374
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -67.049
flat angles P-C4'-P energy: -57.566
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1807.301777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.301777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.301777 (E_RNA)
where:
Base-Base interactions energy: -1280.206
where: short stacking energy: -510.267
Base-Backbone interact. energy: -0.670
local terms energy: -526.425327
where:
bonds (distance) C4'-P energy: -95.255
bonds (distance) P-C4' energy: -104.472
flat angles C4'-P-C4' energy: -105.095
flat angles P-C4'-P energy: -82.639
tors. eta vs tors. theta energy: -138.964
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: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1708.125829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.125829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.125829 (E_RNA)
where:
Base-Base interactions energy: -1189.903
where: short stacking energy: -503.502
Base-Backbone interact. energy: -2.427
local terms energy: -515.796217
where:
bonds (distance) C4'-P energy: -94.587
bonds (distance) P-C4' energy: -94.492
flat angles C4'-P-C4' energy: -111.918
flat angles P-C4'-P energy: -62.955
tors. eta vs tors. theta energy: -151.844
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1646.534115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.534115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.534115 (E_RNA)
where:
Base-Base interactions energy: -1128.044
where: short stacking energy: -485.547
Base-Backbone interact. energy: -0.995
local terms energy: -517.494780
where:
bonds (distance) C4'-P energy: -101.912
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -102.445
flat angles P-C4'-P energy: -74.508
tors. eta vs tors. theta energy: -140.270
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: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1682.848898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.848898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.848898 (E_RNA)
where:
Base-Base interactions energy: -1178.168
where: short stacking energy: -496.260
Base-Backbone interact. energy: -1.708
local terms energy: -502.973023
where:
bonds (distance) C4'-P energy: -97.442
bonds (distance) P-C4' energy: -76.076
flat angles C4'-P-C4' energy: -111.211
flat angles P-C4'-P energy: -68.797
tors. eta vs tors. theta energy: -149.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1477.421311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.421311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.421311 (E_RNA)
where:
Base-Base interactions energy: -993.077
where: short stacking energy: -444.926
Base-Backbone interact. energy: -0.358
local terms energy: -483.986901
where:
bonds (distance) C4'-P energy: -87.543
bonds (distance) P-C4' energy: -93.644
flat angles C4'-P-C4' energy: -102.456
flat angles P-C4'-P energy: -72.689
tors. eta vs tors. theta energy: -127.655
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: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1285.732478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.732478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.732478 (E_RNA)
where:
Base-Base interactions energy: -875.968
where: short stacking energy: -374.940
Base-Backbone interact. energy: 0.530
local terms energy: -410.294624
where:
bonds (distance) C4'-P energy: -84.505
bonds (distance) P-C4' energy: -96.942
flat angles C4'-P-C4' energy: -93.085
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -84.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1206.840482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.840482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.840482 (E_RNA)
where:
Base-Base interactions energy: -834.629
where: short stacking energy: -363.282
Base-Backbone interact. energy: -0.290
local terms energy: -371.921539
where:
bonds (distance) C4'-P energy: -78.633
bonds (distance) P-C4' energy: -82.410
flat angles C4'-P-C4' energy: -81.237
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -84.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1046.422619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.422619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.422619 (E_RNA)
where:
Base-Base interactions energy: -662.281
where: short stacking energy: -301.806
Base-Backbone interact. energy: -2.357
local terms energy: -381.784433
where:
bonds (distance) C4'-P energy: -82.640
bonds (distance) P-C4' energy: -77.684
flat angles C4'-P-C4' energy: -94.519
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -750.133918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.133918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.133918 (E_RNA)
where:
Base-Base interactions energy: -446.849
where: short stacking energy: -219.456
Base-Backbone interact. energy: 0.817
local terms energy: -304.102168
where:
bonds (distance) C4'-P energy: -78.553
bonds (distance) P-C4' energy: -64.612
flat angles C4'-P-C4' energy: -91.670
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -39.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -673.466806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.466806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.466806 (E_RNA)
where:
Base-Base interactions energy: -361.672
where: short stacking energy: -174.760
Base-Backbone interact. energy: 0.131
local terms energy: -311.925964
where:
bonds (distance) C4'-P energy: -74.400
bonds (distance) P-C4' energy: -94.884
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -52.664
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1790.412467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.412467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.412467 (E_RNA)
where:
Base-Base interactions energy: -1275.587
where: short stacking energy: -488.776
Base-Backbone interact. energy: -5.166
local terms energy: -509.659741
where:
bonds (distance) C4'-P energy: -97.323
bonds (distance) P-C4' energy: -101.722
flat angles C4'-P-C4' energy: -89.634
flat angles P-C4'-P energy: -77.969
tors. eta vs tors. theta energy: -143.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1681.380852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.380852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.380852 (E_RNA)
where:
Base-Base interactions energy: -1179.008
where: short stacking energy: -503.138
Base-Backbone interact. energy: -2.078
local terms energy: -500.295040
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -91.309
flat angles C4'-P-C4' energy: -115.817
flat angles P-C4'-P energy: -72.520
tors. eta vs tors. theta energy: -131.025
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: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1691.067302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.067302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.067302 (E_RNA)
where:
Base-Base interactions energy: -1165.159
where: short stacking energy: -521.230
Base-Backbone interact. energy: -4.215
local terms energy: -521.693704
where:
bonds (distance) C4'-P energy: -87.544
bonds (distance) P-C4' energy: -94.664
flat angles C4'-P-C4' energy: -106.215
flat angles P-C4'-P energy: -65.331
tors. eta vs tors. theta energy: -167.940
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1539.676782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.676782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.676782 (E_RNA)
where:
Base-Base interactions energy: -1055.170
where: short stacking energy: -465.628
Base-Backbone interact. energy: -2.081
local terms energy: -482.425932
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -96.364
flat angles C4'-P-C4' energy: -102.220
flat angles P-C4'-P energy: -59.225
tors. eta vs tors. theta energy: -136.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1550.327965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.327965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.327965 (E_RNA)
where:
Base-Base interactions energy: -1067.854
where: short stacking energy: -431.484
Base-Backbone interact. energy: -2.776
local terms energy: -479.697548
where:
bonds (distance) C4'-P energy: -102.571
bonds (distance) P-C4' energy: -84.377
flat angles C4'-P-C4' energy: -105.393
flat angles P-C4'-P energy: -62.571
tors. eta vs tors. theta energy: -124.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1239.619278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.619278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.619278 (E_RNA)
where:
Base-Base interactions energy: -828.114
where: short stacking energy: -342.857
Base-Backbone interact. energy: 0.457
local terms energy: -411.962036
where:
bonds (distance) C4'-P energy: -86.168
bonds (distance) P-C4' energy: -92.320
flat angles C4'-P-C4' energy: -93.361
flat angles P-C4'-P energy: -60.174
tors. eta vs tors. theta energy: -79.939
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1249.004108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.004108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.004108 (E_RNA)
where:
Base-Base interactions energy: -843.684
where: short stacking energy: -352.879
Base-Backbone interact. energy: -0.232
local terms energy: -405.088205
where:
bonds (distance) C4'-P energy: -83.576
bonds (distance) P-C4' energy: -85.108
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -71.032
tors. eta vs tors. theta energy: -82.009
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: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1011.397886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.397886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.397886 (E_RNA)
where:
Base-Base interactions energy: -677.272
where: short stacking energy: -302.208
Base-Backbone interact. energy: -1.872
local terms energy: -332.253642
where:
bonds (distance) C4'-P energy: -75.079
bonds (distance) P-C4' energy: -69.181
flat angles C4'-P-C4' energy: -70.086
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -63.897
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: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -781.707137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.707137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.707137 (E_RNA)
where:
Base-Base interactions energy: -451.598
where: short stacking energy: -207.025
Base-Backbone interact. energy: -1.692
local terms energy: -328.417617
where:
bonds (distance) C4'-P energy: -86.670
bonds (distance) P-C4' energy: -88.803
flat angles C4'-P-C4' energy: -81.894
flat angles P-C4'-P energy: -62.887
tors. eta vs tors. theta energy: -8.164
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -683.374179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.374179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.374179 (E_RNA)
where:
Base-Base interactions energy: -386.957
where: short stacking energy: -197.170
Base-Backbone interact. energy: 4.748
local terms energy: -301.164808
where:
bonds (distance) C4'-P energy: -60.496
bonds (distance) P-C4' energy: -94.610
flat angles C4'-P-C4' energy: -73.530
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -29.403
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: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1776.432989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.432989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.432989 (E_RNA)
where:
Base-Base interactions energy: -1241.050
where: short stacking energy: -498.180
Base-Backbone interact. energy: -3.432
local terms energy: -531.951298
where:
bonds (distance) C4'-P energy: -89.766
bonds (distance) P-C4' energy: -111.314
flat angles C4'-P-C4' energy: -118.635
flat angles P-C4'-P energy: -76.218
tors. eta vs tors. theta energy: -136.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1659.818438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.818438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.818438 (E_RNA)
where:
Base-Base interactions energy: -1156.798
where: short stacking energy: -470.839
Base-Backbone interact. energy: -2.615
local terms energy: -500.406225
where:
bonds (distance) C4'-P energy: -101.282
bonds (distance) P-C4' energy: -95.223
flat angles C4'-P-C4' energy: -108.001
flat angles P-C4'-P energy: -68.754
tors. eta vs tors. theta energy: -127.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1698.886925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.886925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.886925 (E_RNA)
where:
Base-Base interactions energy: -1144.960
where: short stacking energy: -509.600
Base-Backbone interact. energy: -1.157
local terms energy: -552.770369
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -105.768
flat angles C4'-P-C4' energy: -113.124
flat angles P-C4'-P energy: -86.946
tors. eta vs tors. theta energy: -161.425
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1529.084978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.084978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.084978 (E_RNA)
where:
Base-Base interactions energy: -1044.860
where: short stacking energy: -449.474
Base-Backbone interact. energy: -2.802
local terms energy: -481.422737
where:
bonds (distance) C4'-P energy: -94.809
bonds (distance) P-C4' energy: -84.661
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -70.952
tors. eta vs tors. theta energy: -128.877
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: 302
Temperature: 1.100000
Total energy: -1491.261901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.261901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.261901 (E_RNA)
where:
Base-Base interactions energy: -1012.212
where: short stacking energy: -450.083
Base-Backbone interact. energy: -2.429
local terms energy: -476.620102
where:
bonds (distance) C4'-P energy: -86.532
bonds (distance) P-C4' energy: -88.156
flat angles C4'-P-C4' energy: -102.398
flat angles P-C4'-P energy: -67.824
tors. eta vs tors. theta energy: -131.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1239.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.071288 (E_RNA)
where:
Base-Base interactions energy: -827.792
where: short stacking energy: -338.277
Base-Backbone interact. energy: -1.640
local terms energy: -409.639654
where:
bonds (distance) C4'-P energy: -90.184
bonds (distance) P-C4' energy: -92.744
flat angles C4'-P-C4' energy: -88.804
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -80.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1208.326583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.326583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.326583 (E_RNA)
where:
Base-Base interactions energy: -791.654
where: short stacking energy: -349.592
Base-Backbone interact. energy: -0.630
local terms energy: -416.042799
where:
bonds (distance) C4'-P energy: -89.518
bonds (distance) P-C4' energy: -101.177
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -52.060
tors. eta vs tors. theta energy: -88.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -981.999121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.999121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.999121 (E_RNA)
where:
Base-Base interactions energy: -598.186
where: short stacking energy: -280.137
Base-Backbone interact. energy: -0.481
local terms energy: -383.332867
where:
bonds (distance) C4'-P energy: -86.024
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -83.145
flat angles P-C4'-P energy: -58.538
tors. eta vs tors. theta energy: -69.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -749.499614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.499614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.499614 (E_RNA)
where:
Base-Base interactions energy: -439.858
where: short stacking energy: -196.313
Base-Backbone interact. energy: -2.187
local terms energy: -307.455057
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -80.064
flat angles C4'-P-C4' energy: -71.431
flat angles P-C4'-P energy: -54.723
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -667.907292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.907292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.907292 (E_RNA)
where:
Base-Base interactions energy: -374.086
where: short stacking energy: -176.816
Base-Backbone interact. energy: -1.834
local terms energy: -291.987237
where:
bonds (distance) C4'-P energy: -75.736
bonds (distance) P-C4' energy: -78.620
flat angles C4'-P-C4' energy: -78.579
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -13.061
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: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1776.758400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.758400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.758400 (E_RNA)
where:
Base-Base interactions energy: -1269.740
where: short stacking energy: -510.657
Base-Backbone interact. energy: 1.665
local terms energy: -508.683229
where:
bonds (distance) C4'-P energy: -95.232
bonds (distance) P-C4' energy: -95.271
flat angles C4'-P-C4' energy: -105.656
flat angles P-C4'-P energy: -81.424
tors. eta vs tors. theta energy: -131.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1680.221693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.221693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.221693 (E_RNA)
where:
Base-Base interactions energy: -1176.074
where: short stacking energy: -489.793
Base-Backbone interact. energy: -3.570
local terms energy: -500.577144
where:
bonds (distance) C4'-P energy: -95.207
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -101.659
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -134.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1700.289714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.289714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.289714 (E_RNA)
where:
Base-Base interactions energy: -1178.071
where: short stacking energy: -524.185
Base-Backbone interact. energy: -1.708
local terms energy: -520.511167
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -116.864
flat angles P-C4'-P energy: -71.021
tors. eta vs tors. theta energy: -162.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1552.275363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.275363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.275363 (E_RNA)
where:
Base-Base interactions energy: -1063.273
where: short stacking energy: -450.748
Base-Backbone interact. energy: -1.253
local terms energy: -487.749625
where:
bonds (distance) C4'-P energy: -89.249
bonds (distance) P-C4' energy: -90.557
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -65.367
tors. eta vs tors. theta energy: -134.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1488.861440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.861440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.861440 (E_RNA)
where:
Base-Base interactions energy: -1028.432
where: short stacking energy: -436.623
Base-Backbone interact. energy: -4.763
local terms energy: -455.666491
where:
bonds (distance) C4'-P energy: -89.375
bonds (distance) P-C4' energy: -77.315
flat angles C4'-P-C4' energy: -105.208
flat angles P-C4'-P energy: -59.845
tors. eta vs tors. theta energy: -123.924
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1229.259057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.259057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.259057 (E_RNA)
where:
Base-Base interactions energy: -852.087
where: short stacking energy: -385.428
Base-Backbone interact. energy: 5.495
local terms energy: -382.667234
where:
bonds (distance) C4'-P energy: -81.513
bonds (distance) P-C4' energy: -70.181
flat angles C4'-P-C4' energy: -87.734
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -92.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1240.404705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.404705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.404705 (E_RNA)
where:
Base-Base interactions energy: -814.822
where: short stacking energy: -357.812
Base-Backbone interact. energy: -1.408
local terms energy: -424.174939
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -88.618
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -94.142
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -931.486491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.486491 (E_RNA)
where:
Base-Base interactions energy: -592.474
where: short stacking energy: -273.689
Base-Backbone interact. energy: -1.247
local terms energy: -337.764814
where:
bonds (distance) C4'-P energy: -80.294
bonds (distance) P-C4' energy: -70.940
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -54.057
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: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -773.819819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.819819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.819819 (E_RNA)
where:
Base-Base interactions energy: -444.173
where: short stacking energy: -231.285
Base-Backbone interact. energy: 0.806
local terms energy: -330.452998
where:
bonds (distance) C4'-P energy: -75.860
bonds (distance) P-C4' energy: -94.766
flat angles C4'-P-C4' energy: -73.868
flat angles P-C4'-P energy: -64.539
tors. eta vs tors. theta energy: -21.420
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -675.859748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.859748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.859748 (E_RNA)
where:
Base-Base interactions energy: -399.281
where: short stacking energy: -190.312
Base-Backbone interact. energy: 1.144
local terms energy: -277.723296
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -84.150
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1797.388640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.388640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.388640 (E_RNA)
where:
Base-Base interactions energy: -1285.062
where: short stacking energy: -502.068
Base-Backbone interact. energy: -1.729
local terms energy: -510.597332
where:
bonds (distance) C4'-P energy: -90.777
bonds (distance) P-C4' energy: -94.092
flat angles C4'-P-C4' energy: -106.884
flat angles P-C4'-P energy: -83.868
tors. eta vs tors. theta energy: -134.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1682.310811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.310811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.310811 (E_RNA)
where:
Base-Base interactions energy: -1145.362
where: short stacking energy: -494.324
Base-Backbone interact. energy: -2.748
local terms energy: -534.200912
where:
bonds (distance) C4'-P energy: -100.488
bonds (distance) P-C4' energy: -94.902
flat angles C4'-P-C4' energy: -113.637
flat angles P-C4'-P energy: -81.062
tors. eta vs tors. theta energy: -144.113
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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1681.691370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.691370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.691370 (E_RNA)
where:
Base-Base interactions energy: -1150.543
where: short stacking energy: -520.502
Base-Backbone interact. energy: -1.381
local terms energy: -529.767547
where:
bonds (distance) C4'-P energy: -89.038
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -107.506
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -169.695
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: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1509.954515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.954515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.954515 (E_RNA)
where:
Base-Base interactions energy: -1033.441
where: short stacking energy: -408.675
Base-Backbone interact. energy: -2.920
local terms energy: -473.594129
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -96.450
flat angles C4'-P-C4' energy: -99.692
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -123.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1477.084900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.084900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.084900 (E_RNA)
where:
Base-Base interactions energy: -1044.309
where: short stacking energy: -418.576
Base-Backbone interact. energy: -0.070
local terms energy: -432.706125
where:
bonds (distance) C4'-P energy: -78.177
bonds (distance) P-C4' energy: -82.365
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -68.243
tors. eta vs tors. theta energy: -104.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1243.766754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.766754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.766754 (E_RNA)
where:
Base-Base interactions energy: -826.749
where: short stacking energy: -369.749
Base-Backbone interact. energy: 1.006
local terms energy: -418.023913
where:
bonds (distance) C4'-P energy: -75.927
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -67.913
tors. eta vs tors. theta energy: -95.792
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1218.484688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.484688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.484688 (E_RNA)
where:
Base-Base interactions energy: -840.938
where: short stacking energy: -375.562
Base-Backbone interact. energy: -0.958
local terms energy: -376.588783
where:
bonds (distance) C4'-P energy: -67.430
bonds (distance) P-C4' energy: -87.194
flat angles C4'-P-C4' energy: -89.782
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -94.780
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: 304
Temperature: 1.250000
Total energy: -962.288779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.288779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.288779 (E_RNA)
where:
Base-Base interactions energy: -618.999
where: short stacking energy: -297.960
Base-Backbone interact. energy: 0.333
local terms energy: -343.622565
where:
bonds (distance) C4'-P energy: -81.657
bonds (distance) P-C4' energy: -88.983
flat angles C4'-P-C4' energy: -80.240
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -55.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -775.212224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.212224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.212224 (E_RNA)
where:
Base-Base interactions energy: -467.401
where: short stacking energy: -225.104
Base-Backbone interact. energy: -1.034
local terms energy: -306.777407
where:
bonds (distance) C4'-P energy: -81.636
bonds (distance) P-C4' energy: -85.344
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -20.893
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: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -693.102632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.102632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.102632 (E_RNA)
where:
Base-Base interactions energy: -412.282
where: short stacking energy: -195.706
Base-Backbone interact. energy: -0.923
local terms energy: -279.897052
where:
bonds (distance) C4'-P energy: -77.367
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1790.648468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.648468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.648468 (E_RNA)
where:
Base-Base interactions energy: -1266.306
where: short stacking energy: -493.766
Base-Backbone interact. energy: -2.905
local terms energy: -521.437539
where:
bonds (distance) C4'-P energy: -93.012
bonds (distance) P-C4' energy: -106.490
flat angles C4'-P-C4' energy: -112.896
flat angles P-C4'-P energy: -79.061
tors. eta vs tors. theta energy: -129.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1680.910468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.910468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.910468 (E_RNA)
where:
Base-Base interactions energy: -1174.469
where: short stacking energy: -488.725
Base-Backbone interact. energy: -1.744
local terms energy: -504.697654
where:
bonds (distance) C4'-P energy: -89.490
bonds (distance) P-C4' energy: -102.301
flat angles C4'-P-C4' energy: -110.261
flat angles P-C4'-P energy: -68.523
tors. eta vs tors. theta energy: -134.123
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1675.394555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.394555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.394555 (E_RNA)
where:
Base-Base interactions energy: -1134.414
where: short stacking energy: -502.399
Base-Backbone interact. energy: -0.919
local terms energy: -540.061220
where:
bonds (distance) C4'-P energy: -90.964
bonds (distance) P-C4' energy: -94.949
flat angles C4'-P-C4' energy: -108.646
flat angles P-C4'-P energy: -78.973
tors. eta vs tors. theta energy: -166.530
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: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1514.457576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.457576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.457576 (E_RNA)
where:
Base-Base interactions energy: -1028.603
where: short stacking energy: -432.558
Base-Backbone interact. energy: -1.665
local terms energy: -484.189012
where:
bonds (distance) C4'-P energy: -94.937
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -99.878
flat angles P-C4'-P energy: -58.967
tors. eta vs tors. theta energy: -130.003
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1466.547719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.547719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.547719 (E_RNA)
where:
Base-Base interactions energy: -1033.775
where: short stacking energy: -432.223
Base-Backbone interact. energy: 0.033
local terms energy: -432.806028
where:
bonds (distance) C4'-P energy: -85.530
bonds (distance) P-C4' energy: -82.905
flat angles C4'-P-C4' energy: -92.165
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -116.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1231.302930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.302930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.302930 (E_RNA)
where:
Base-Base interactions energy: -807.147
where: short stacking energy: -354.688
Base-Backbone interact. energy: -1.289
local terms energy: -422.866231
where:
bonds (distance) C4'-P energy: -74.600
bonds (distance) P-C4' energy: -97.392
flat angles C4'-P-C4' energy: -94.928
flat angles P-C4'-P energy: -63.814
tors. eta vs tors. theta energy: -92.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1225.796817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.796817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.796817 (E_RNA)
where:
Base-Base interactions energy: -818.722
where: short stacking energy: -358.470
Base-Backbone interact. energy: -4.122
local terms energy: -402.952459
where:
bonds (distance) C4'-P energy: -79.198
bonds (distance) P-C4' energy: -87.721
flat angles C4'-P-C4' energy: -90.511
flat angles P-C4'-P energy: -59.148
tors. eta vs tors. theta energy: -86.375
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: 305
Temperature: 1.250000
Total energy: -985.763809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.763809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.763809 (E_RNA)
where:
Base-Base interactions energy: -609.346
where: short stacking energy: -283.724
Base-Backbone interact. energy: 0.164
local terms energy: -376.581246
where:
bonds (distance) C4'-P energy: -87.498
bonds (distance) P-C4' energy: -96.858
flat angles C4'-P-C4' energy: -87.322
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -68.788
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: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -766.900158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.900158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.900158 (E_RNA)
where:
Base-Base interactions energy: -448.053
where: short stacking energy: -230.972
Base-Backbone interact. energy: 0.572
local terms energy: -319.419194
where:
bonds (distance) C4'-P energy: -83.486
bonds (distance) P-C4' energy: -82.424
flat angles C4'-P-C4' energy: -88.319
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -31.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -686.398431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.398431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.398431 (E_RNA)
where:
Base-Base interactions energy: -393.790
where: short stacking energy: -194.912
Base-Backbone interact. energy: 2.088
local terms energy: -294.695928
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -75.338
flat angles C4'-P-C4' energy: -65.808
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1801.686078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.686078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.686078 (E_RNA)
where:
Base-Base interactions energy: -1278.690
where: short stacking energy: -509.785
Base-Backbone interact. energy: -3.966
local terms energy: -519.030582
where:
bonds (distance) C4'-P energy: -94.713
bonds (distance) P-C4' energy: -107.672
flat angles C4'-P-C4' energy: -106.309
flat angles P-C4'-P energy: -70.901
tors. eta vs tors. theta energy: -139.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1670.128106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.128106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.128106 (E_RNA)
where:
Base-Base interactions energy: -1165.307
where: short stacking energy: -482.964
Base-Backbone interact. energy: -0.050
local terms energy: -504.770812
where:
bonds (distance) C4'-P energy: -103.487
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -103.237
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -130.806
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: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1675.346153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.346153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.346153 (E_RNA)
where:
Base-Base interactions energy: -1164.385
where: short stacking energy: -518.579
Base-Backbone interact. energy: -0.757
local terms energy: -510.203976
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -82.743
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -65.643
tors. eta vs tors. theta energy: -154.912
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: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1553.894313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.894313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.894313 (E_RNA)
where:
Base-Base interactions energy: -1055.563
where: short stacking energy: -454.738
Base-Backbone interact. energy: -1.303
local terms energy: -497.028585
where:
bonds (distance) C4'-P energy: -88.007
bonds (distance) P-C4' energy: -90.972
flat angles C4'-P-C4' energy: -115.007
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -133.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1469.335436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.335436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.335436 (E_RNA)
where:
Base-Base interactions energy: -1024.596
where: short stacking energy: -434.718
Base-Backbone interact. energy: -1.964
local terms energy: -442.775742
where:
bonds (distance) C4'-P energy: -84.392
bonds (distance) P-C4' energy: -86.599
flat angles C4'-P-C4' energy: -88.013
flat angles P-C4'-P energy: -57.578
tors. eta vs tors. theta energy: -126.194
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1208.330441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.330441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.330441 (E_RNA)
where:
Base-Base interactions energy: -787.643
where: short stacking energy: -348.876
Base-Backbone interact. energy: -3.771
local terms energy: -416.916642
where:
bonds (distance) C4'-P energy: -94.143
bonds (distance) P-C4' energy: -88.496
flat angles C4'-P-C4' energy: -90.665
flat angles P-C4'-P energy: -56.335
tors. eta vs tors. theta energy: -87.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1235.205631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.205631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.205631 (E_RNA)
where:
Base-Base interactions energy: -815.153
where: short stacking energy: -364.576
Base-Backbone interact. energy: -1.655
local terms energy: -418.397309
where:
bonds (distance) C4'-P energy: -104.845
bonds (distance) P-C4' energy: -90.597
flat angles C4'-P-C4' energy: -81.496
flat angles P-C4'-P energy: -54.615
tors. eta vs tors. theta energy: -86.844
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1020.256220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.256220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.256220 (E_RNA)
where:
Base-Base interactions energy: -633.585
where: short stacking energy: -324.293
Base-Backbone interact. energy: -4.027
local terms energy: -382.643476
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -101.425
flat angles C4'-P-C4' energy: -79.641
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -77.564
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: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -747.721819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.721819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.721819 (E_RNA)
where:
Base-Base interactions energy: -439.563
where: short stacking energy: -208.955
Base-Backbone interact. energy: -0.395
local terms energy: -307.763681
where:
bonds (distance) C4'-P energy: -73.936
bonds (distance) P-C4' energy: -90.735
flat angles C4'-P-C4' energy: -77.797
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -691.578982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.578982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.578982 (E_RNA)
where:
Base-Base interactions energy: -426.358
where: short stacking energy: -192.588
Base-Backbone interact. energy: -1.308
local terms energy: -263.913042
where:
bonds (distance) C4'-P energy: -72.082
bonds (distance) P-C4' energy: -87.642
flat angles C4'-P-C4' energy: -63.885
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1812.033416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.033416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.033416 (E_RNA)
where:
Base-Base interactions energy: -1273.038
where: short stacking energy: -508.134
Base-Backbone interact. energy: -1.812
local terms energy: -537.184034
where:
bonds (distance) C4'-P energy: -105.003
bonds (distance) P-C4' energy: -104.481
flat angles C4'-P-C4' energy: -114.276
flat angles P-C4'-P energy: -75.278
tors. eta vs tors. theta energy: -138.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1735.757234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.757234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.757234 (E_RNA)
where:
Base-Base interactions energy: -1205.184
where: short stacking energy: -527.652
Base-Backbone interact. energy: -1.009
local terms energy: -529.564493
where:
bonds (distance) C4'-P energy: -92.862
bonds (distance) P-C4' energy: -93.482
flat angles C4'-P-C4' energy: -108.066
flat angles P-C4'-P energy: -66.746
tors. eta vs tors. theta energy: -168.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1677.875703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.875703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.875703 (E_RNA)
where:
Base-Base interactions energy: -1163.872
where: short stacking energy: -483.984
Base-Backbone interact. energy: -0.398
local terms energy: -513.605489
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -99.684
flat angles C4'-P-C4' energy: -108.709
flat angles P-C4'-P energy: -82.768
tors. eta vs tors. theta energy: -135.454
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: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1556.109065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.109065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.109065 (E_RNA)
where:
Base-Base interactions energy: -1059.165
where: short stacking energy: -453.606
Base-Backbone interact. energy: -0.393
local terms energy: -496.550981
where:
bonds (distance) C4'-P energy: -99.420
bonds (distance) P-C4' energy: -90.834
flat angles C4'-P-C4' energy: -102.088
flat angles P-C4'-P energy: -73.091
tors. eta vs tors. theta energy: -131.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1495.791374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.791374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.791374 (E_RNA)
where:
Base-Base interactions energy: -1045.428
where: short stacking energy: -432.452
Base-Backbone interact. energy: -3.355
local terms energy: -447.008731
where:
bonds (distance) C4'-P energy: -80.809
bonds (distance) P-C4' energy: -83.271
flat angles C4'-P-C4' energy: -96.202
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -130.397
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: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1248.449856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.449856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.449856 (E_RNA)
where:
Base-Base interactions energy: -847.021
where: short stacking energy: -357.581
Base-Backbone interact. energy: 5.639
local terms energy: -407.067565
where:
bonds (distance) C4'-P energy: -88.194
bonds (distance) P-C4' energy: -83.555
flat angles C4'-P-C4' energy: -90.900
flat angles P-C4'-P energy: -60.550
tors. eta vs tors. theta energy: -83.869
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: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1185.260901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.260901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.260901 (E_RNA)
where:
Base-Base interactions energy: -799.616
where: short stacking energy: -344.991
Base-Backbone interact. energy: -1.447
local terms energy: -384.198451
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -83.811
flat angles C4'-P-C4' energy: -90.395
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -81.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -984.273842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.273842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.273842 (E_RNA)
where:
Base-Base interactions energy: -622.463
where: short stacking energy: -278.513
Base-Backbone interact. energy: 0.229
local terms energy: -362.039488
where:
bonds (distance) C4'-P energy: -72.481
bonds (distance) P-C4' energy: -88.984
flat angles C4'-P-C4' energy: -96.704
flat angles P-C4'-P energy: -59.825
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -688.607620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.607620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.607620 (E_RNA)
where:
Base-Base interactions energy: -399.011
where: short stacking energy: -202.498
Base-Backbone interact. energy: 4.520
local terms energy: -294.116466
where:
bonds (distance) C4'-P energy: -73.274
bonds (distance) P-C4' energy: -72.944
flat angles C4'-P-C4' energy: -87.701
flat angles P-C4'-P energy: -50.914
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -696.097850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.097850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.097850 (E_RNA)
where:
Base-Base interactions energy: -420.911
where: short stacking energy: -195.025
Base-Backbone interact. energy: -1.345
local terms energy: -273.841700
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -78.421
flat angles C4'-P-C4' energy: -74.722
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1798.228433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.228433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.228433 (E_RNA)
where:
Base-Base interactions energy: -1268.077
where: short stacking energy: -509.688
Base-Backbone interact. energy: -3.153
local terms energy: -526.998445
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -103.265
flat angles C4'-P-C4' energy: -104.759
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -147.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1718.257079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.257079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.257079 (E_RNA)
where:
Base-Base interactions energy: -1185.216
where: short stacking energy: -511.551
Base-Backbone interact. energy: -0.608
local terms energy: -532.432593
where:
bonds (distance) C4'-P energy: -88.771
bonds (distance) P-C4' energy: -101.913
flat angles C4'-P-C4' energy: -98.835
flat angles P-C4'-P energy: -84.148
tors. eta vs tors. theta energy: -158.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1643.983589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.983589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.983589 (E_RNA)
where:
Base-Base interactions energy: -1157.305
where: short stacking energy: -468.225
Base-Backbone interact. energy: -2.492
local terms energy: -484.186668
where:
bonds (distance) C4'-P energy: -84.866
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -101.669
flat angles P-C4'-P energy: -73.108
tors. eta vs tors. theta energy: -131.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1527.679336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.679336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.679336 (E_RNA)
where:
Base-Base interactions energy: -1054.965
where: short stacking energy: -436.556
Base-Backbone interact. energy: -2.850
local terms energy: -469.863914
where:
bonds (distance) C4'-P energy: -91.630
bonds (distance) P-C4' energy: -90.722
flat angles C4'-P-C4' energy: -102.017
flat angles P-C4'-P energy: -69.313
tors. eta vs tors. theta energy: -116.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1580.269867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.269867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.269867 (E_RNA)
where:
Base-Base interactions energy: -1095.968
where: short stacking energy: -459.904
Base-Backbone interact. energy: -0.397
local terms energy: -483.904460
where:
bonds (distance) C4'-P energy: -87.184
bonds (distance) P-C4' energy: -94.135
flat angles C4'-P-C4' energy: -105.311
flat angles P-C4'-P energy: -59.996
tors. eta vs tors. theta energy: -137.279
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1227.864813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.864813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.864813 (E_RNA)
where:
Base-Base interactions energy: -813.323
where: short stacking energy: -371.602
Base-Backbone interact. energy: -2.010
local terms energy: -412.531796
where:
bonds (distance) C4'-P energy: -81.377
bonds (distance) P-C4' energy: -91.297
flat angles C4'-P-C4' energy: -93.836
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -82.849
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1223.498612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.498612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.498612 (E_RNA)
where:
Base-Base interactions energy: -831.386
where: short stacking energy: -345.011
Base-Backbone interact. energy: 0.002
local terms energy: -392.114546
where:
bonds (distance) C4'-P energy: -86.469
bonds (distance) P-C4' energy: -79.716
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -75.449
tors. eta vs tors. theta energy: -67.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -989.005848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.005848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.005848 (E_RNA)
where:
Base-Base interactions energy: -634.932
where: short stacking energy: -269.905
Base-Backbone interact. energy: 1.929
local terms energy: -356.003223
where:
bonds (distance) C4'-P energy: -84.482
bonds (distance) P-C4' energy: -80.394
flat angles C4'-P-C4' energy: -83.868
flat angles P-C4'-P energy: -53.127
tors. eta vs tors. theta energy: -54.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -762.194036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.194036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.194036 (E_RNA)
where:
Base-Base interactions energy: -457.706
where: short stacking energy: -223.599
Base-Backbone interact. energy: -4.608
local terms energy: -299.879577
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -80.484
flat angles C4'-P-C4' energy: -78.247
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -676.983857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.983857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.983857 (E_RNA)
where:
Base-Base interactions energy: -388.094
where: short stacking energy: -192.890
Base-Backbone interact. energy: -2.138
local terms energy: -286.751709
where:
bonds (distance) C4'-P energy: -64.975
bonds (distance) P-C4' energy: -87.422
flat angles C4'-P-C4' energy: -72.829
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -31.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1801.930242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.930242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.930242 (E_RNA)
where:
Base-Base interactions energy: -1286.950
where: short stacking energy: -506.407
Base-Backbone interact. energy: -3.194
local terms energy: -511.786397
where:
bonds (distance) C4'-P energy: -95.292
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -108.397
flat angles P-C4'-P energy: -73.722
tors. eta vs tors. theta energy: -139.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1704.324795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.324795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.324795 (E_RNA)
where:
Base-Base interactions energy: -1130.959
where: short stacking energy: -513.559
Base-Backbone interact. energy: -1.975
local terms energy: -571.390955
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -101.266
flat angles C4'-P-C4' energy: -117.716
flat angles P-C4'-P energy: -75.244
tors. eta vs tors. theta energy: -168.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1684.072159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.072159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.072159 (E_RNA)
where:
Base-Base interactions energy: -1186.007
where: short stacking energy: -475.008
Base-Backbone interact. energy: -2.756
local terms energy: -495.309180
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -110.902
flat angles P-C4'-P energy: -70.135
tors. eta vs tors. theta energy: -137.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1658.959625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.959625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.959625 (E_RNA)
where:
Base-Base interactions energy: -1154.637
where: short stacking energy: -488.001
Base-Backbone interact. energy: -3.756
local terms energy: -500.566841
where:
bonds (distance) C4'-P energy: -92.457
bonds (distance) P-C4' energy: -89.765
flat angles C4'-P-C4' energy: -112.348
flat angles P-C4'-P energy: -63.376
tors. eta vs tors. theta energy: -142.621
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: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1473.622035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.622035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.622035 (E_RNA)
where:
Base-Base interactions energy: -991.202
where: short stacking energy: -444.268
Base-Backbone interact. energy: -1.923
local terms energy: -480.497464
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -90.867
flat angles C4'-P-C4' energy: -106.997
flat angles P-C4'-P energy: -66.666
tors. eta vs tors. theta energy: -125.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1215.528561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.528561 (E_RNA)
where:
Base-Base interactions energy: -809.412
where: short stacking energy: -339.646
Base-Backbone interact. energy: -0.623
local terms energy: -405.493721
where:
bonds (distance) C4'-P energy: -79.190
bonds (distance) P-C4' energy: -87.067
flat angles C4'-P-C4' energy: -91.142
flat angles P-C4'-P energy: -72.994
tors. eta vs tors. theta energy: -75.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1183.238051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.238051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.238051 (E_RNA)
where:
Base-Base interactions energy: -789.927
where: short stacking energy: -348.360
Base-Backbone interact. energy: 0.522
local terms energy: -393.833384
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -90.060
flat angles P-C4'-P energy: -48.212
tors. eta vs tors. theta energy: -76.660
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: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -966.047861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.047861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.047861 (E_RNA)
where:
Base-Base interactions energy: -616.561
where: short stacking energy: -279.265
Base-Backbone interact. energy: 2.050
local terms energy: -351.537081
where:
bonds (distance) C4'-P energy: -75.427
bonds (distance) P-C4' energy: -81.320
flat angles C4'-P-C4' energy: -79.159
flat angles P-C4'-P energy: -56.937
tors. eta vs tors. theta energy: -58.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -719.960750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.960750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.960750 (E_RNA)
where:
Base-Base interactions energy: -410.705
where: short stacking energy: -203.598
Base-Backbone interact. energy: 0.544
local terms energy: -309.800091
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -79.339
flat angles C4'-P-C4' energy: -78.878
flat angles P-C4'-P energy: -43.805
tors. eta vs tors. theta energy: -28.421
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: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -688.155443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.155443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.155443 (E_RNA)
where:
Base-Base interactions energy: -407.239
where: short stacking energy: -195.558
Base-Backbone interact. energy: -0.718
local terms energy: -280.198106
where:
bonds (distance) C4'-P energy: -84.465
bonds (distance) P-C4' energy: -79.405
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -42.422
tors. eta vs tors. theta energy: -9.127
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: 310
Temperature: 0.900000
Total energy: -1788.727552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.727552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.727552 (E_RNA)
where:
Base-Base interactions energy: -1262.973
where: short stacking energy: -497.079
Base-Backbone interact. energy: -2.430
local terms energy: -523.324546
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -100.829
flat angles C4'-P-C4' energy: -115.244
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: -139.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1725.744703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.744703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.744703 (E_RNA)
where:
Base-Base interactions energy: -1190.505
where: short stacking energy: -533.263
Base-Backbone interact. energy: -3.616
local terms energy: -531.623678
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -79.374
flat angles C4'-P-C4' energy: -117.754
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -164.606
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: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1636.841361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.841361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.841361 (E_RNA)
where:
Base-Base interactions energy: -1156.457
where: short stacking energy: -494.520
Base-Backbone interact. energy: 1.110
local terms energy: -481.495069
where:
bonds (distance) C4'-P energy: -92.014
bonds (distance) P-C4' energy: -93.350
flat angles C4'-P-C4' energy: -104.472
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -135.451
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: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1619.040415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.040415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.040415 (E_RNA)
where:
Base-Base interactions energy: -1130.609
where: short stacking energy: -474.815
Base-Backbone interact. energy: -0.103
local terms energy: -488.328422
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -108.813
flat angles C4'-P-C4' energy: -96.472
flat angles P-C4'-P energy: -66.670
tors. eta vs tors. theta energy: -138.391
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1478.314396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.314396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.314396 (E_RNA)
where:
Base-Base interactions energy: -1017.941
where: short stacking energy: -431.517
Base-Backbone interact. energy: -1.227
local terms energy: -459.145843
where:
bonds (distance) C4'-P energy: -96.147
bonds (distance) P-C4' energy: -83.901
flat angles C4'-P-C4' energy: -96.659
flat angles P-C4'-P energy: -64.432
tors. eta vs tors. theta energy: -118.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1284.748444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.748444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.748444 (E_RNA)
where:
Base-Base interactions energy: -877.893
where: short stacking energy: -374.950
Base-Backbone interact. energy: -1.636
local terms energy: -405.219847
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -88.688
flat angles C4'-P-C4' energy: -85.712
flat angles P-C4'-P energy: -48.981
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: 310
Temperature: 1.200000
Total energy: -1182.126056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.126056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.126056 (E_RNA)
where:
Base-Base interactions energy: -809.573
where: short stacking energy: -352.978
Base-Backbone interact. energy: 0.636
local terms energy: -373.188896
where:
bonds (distance) C4'-P energy: -72.721
bonds (distance) P-C4' energy: -88.197
flat angles C4'-P-C4' energy: -90.340
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -72.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -971.624721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.624721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.624721 (E_RNA)
where:
Base-Base interactions energy: -601.481
where: short stacking energy: -276.591
Base-Backbone interact. energy: 4.474
local terms energy: -374.618203
where:
bonds (distance) C4'-P energy: -71.087
bonds (distance) P-C4' energy: -88.628
flat angles C4'-P-C4' energy: -106.306
flat angles P-C4'-P energy: -48.647
tors. eta vs tors. theta energy: -59.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -821.556052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.556052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.556052 (E_RNA)
where:
Base-Base interactions energy: -475.744
where: short stacking energy: -220.824
Base-Backbone interact. energy: 1.127
local terms energy: -346.939003
where:
bonds (distance) C4'-P energy: -78.162
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -86.559
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -36.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -680.438452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.438452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.438452 (E_RNA)
where:
Base-Base interactions energy: -386.020
where: short stacking energy: -188.425
Base-Backbone interact. energy: 3.497
local terms energy: -297.915547
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -90.588
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -17.667
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: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1804.554996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.554996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.554996 (E_RNA)
where:
Base-Base interactions energy: -1266.171
where: short stacking energy: -499.187
Base-Backbone interact. energy: -3.521
local terms energy: -534.862341
where:
bonds (distance) C4'-P energy: -102.527
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -107.926
flat angles P-C4'-P energy: -88.366
tors. eta vs tors. theta energy: -142.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1736.023241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.023241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.023241 (E_RNA)
where:
Base-Base interactions energy: -1201.408
where: short stacking energy: -554.826
Base-Backbone interact. energy: 0.413
local terms energy: -535.028258
where:
bonds (distance) C4'-P energy: -86.096
bonds (distance) P-C4' energy: -85.823
flat angles C4'-P-C4' energy: -115.252
flat angles P-C4'-P energy: -78.043
tors. eta vs tors. theta energy: -169.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1637.758342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.758342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.758342 (E_RNA)
where:
Base-Base interactions energy: -1139.461
where: short stacking energy: -454.588
Base-Backbone interact. energy: -1.592
local terms energy: -496.705731
where:
bonds (distance) C4'-P energy: -95.407
bonds (distance) P-C4' energy: -100.793
flat angles C4'-P-C4' energy: -108.657
flat angles P-C4'-P energy: -68.435
tors. eta vs tors. theta energy: -123.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1638.975729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.975729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.975729 (E_RNA)
where:
Base-Base interactions energy: -1139.982
where: short stacking energy: -460.703
Base-Backbone interact. energy: -1.209
local terms energy: -497.784872
where:
bonds (distance) C4'-P energy: -82.544
bonds (distance) P-C4' energy: -101.519
flat angles C4'-P-C4' energy: -104.365
flat angles P-C4'-P energy: -69.230
tors. eta vs tors. theta energy: -140.128
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: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1481.229676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.229676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.229676 (E_RNA)
where:
Base-Base interactions energy: -1041.497
where: short stacking energy: -448.132
Base-Backbone interact. energy: -0.054
local terms energy: -439.678572
where:
bonds (distance) C4'-P energy: -72.343
bonds (distance) P-C4' energy: -81.718
flat angles C4'-P-C4' energy: -97.078
flat angles P-C4'-P energy: -64.876
tors. eta vs tors. theta energy: -123.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1300.393425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.393425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.393425 (E_RNA)
where:
Base-Base interactions energy: -880.504
where: short stacking energy: -375.221
Base-Backbone interact. energy: 2.928
local terms energy: -422.817150
where:
bonds (distance) C4'-P energy: -92.006
bonds (distance) P-C4' energy: -94.198
flat angles C4'-P-C4' energy: -85.825
flat angles P-C4'-P energy: -59.856
tors. eta vs tors. theta energy: -90.933
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1155.797061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.797061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.797061 (E_RNA)
where:
Base-Base interactions energy: -751.569
where: short stacking energy: -330.629
Base-Backbone interact. energy: -3.125
local terms energy: -401.102309
where:
bonds (distance) C4'-P energy: -86.140
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -97.090
flat angles P-C4'-P energy: -57.470
tors. eta vs tors. theta energy: -74.399
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: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -943.352254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.352254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.352254 (E_RNA)
where:
Base-Base interactions energy: -615.675
where: short stacking energy: -264.705
Base-Backbone interact. energy: -2.685
local terms energy: -324.991819
where:
bonds (distance) C4'-P energy: -59.907
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -59.200
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -799.955334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.955334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.955334 (E_RNA)
where:
Base-Base interactions energy: -475.593
where: short stacking energy: -214.693
Base-Backbone interact. energy: 1.912
local terms energy: -326.274201
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -94.676
flat angles C4'-P-C4' energy: -83.456
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -652.344642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.344642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.344642 (E_RNA)
where:
Base-Base interactions energy: -358.388
where: short stacking energy: -180.576
Base-Backbone interact. energy: -1.378
local terms energy: -292.578744
where:
bonds (distance) C4'-P energy: -69.702
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -76.463
flat angles P-C4'-P energy: -40.822
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: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1757.899436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.899436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.899436 (E_RNA)
where:
Base-Base interactions energy: -1199.376
where: short stacking energy: -556.439
Base-Backbone interact. energy: -0.734
local terms energy: -557.789474
where:
bonds (distance) C4'-P energy: -100.802
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -108.848
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -172.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1778.537389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.537389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.537389 (E_RNA)
where:
Base-Base interactions energy: -1253.465
where: short stacking energy: -488.376
Base-Backbone interact. energy: -0.003
local terms energy: -525.069587
where:
bonds (distance) C4'-P energy: -95.059
bonds (distance) P-C4' energy: -91.903
flat angles C4'-P-C4' energy: -111.632
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -150.408
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: 312
Temperature: 1.000000
Total energy: -1617.053219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.053219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.053219 (E_RNA)
where:
Base-Base interactions energy: -1142.362
where: short stacking energy: -479.671
Base-Backbone interact. energy: -1.800
local terms energy: -472.891003
where:
bonds (distance) C4'-P energy: -94.843
bonds (distance) P-C4' energy: -86.115
flat angles C4'-P-C4' energy: -95.500
flat angles P-C4'-P energy: -62.415
tors. eta vs tors. theta energy: -134.018
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: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1656.215918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.215918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.215918 (E_RNA)
where:
Base-Base interactions energy: -1176.028
where: short stacking energy: -505.853
Base-Backbone interact. energy: -3.307
local terms energy: -476.880819
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -98.552
flat angles C4'-P-C4' energy: -94.626
flat angles P-C4'-P energy: -55.748
tors. eta vs tors. theta energy: -148.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1501.101520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.101520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.101520 (E_RNA)
where:
Base-Base interactions energy: -1036.109
where: short stacking energy: -447.166
Base-Backbone interact. energy: -0.742
local terms energy: -464.251367
where:
bonds (distance) C4'-P energy: -88.264
bonds (distance) P-C4' energy: -89.187
flat angles C4'-P-C4' energy: -107.980
flat angles P-C4'-P energy: -60.742
tors. eta vs tors. theta energy: -118.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1305.625143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.625143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.625143 (E_RNA)
where:
Base-Base interactions energy: -889.891
where: short stacking energy: -395.718
Base-Backbone interact. energy: 1.412
local terms energy: -417.146002
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -75.730
flat angles C4'-P-C4' energy: -85.818
flat angles P-C4'-P energy: -69.025
tors. eta vs tors. theta energy: -96.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1172.549329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.549329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.549329 (E_RNA)
where:
Base-Base interactions energy: -776.783
where: short stacking energy: -346.515
Base-Backbone interact. energy: -1.369
local terms energy: -394.398082
where:
bonds (distance) C4'-P energy: -94.436
bonds (distance) P-C4' energy: -78.861
flat angles C4'-P-C4' energy: -95.313
flat angles P-C4'-P energy: -57.907
tors. eta vs tors. theta energy: -67.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1003.612023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.612023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.612023 (E_RNA)
where:
Base-Base interactions energy: -637.725
where: short stacking energy: -279.404
Base-Backbone interact. energy: -2.210
local terms energy: -363.676753
where:
bonds (distance) C4'-P energy: -79.014
bonds (distance) P-C4' energy: -85.632
flat angles C4'-P-C4' energy: -93.096
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -57.920
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -800.708853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.708853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.708853 (E_RNA)
where:
Base-Base interactions energy: -487.637
where: short stacking energy: -219.030
Base-Backbone interact. energy: 1.392
local terms energy: -314.463563
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -97.029
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -630.929282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.929282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.929282 (E_RNA)
where:
Base-Base interactions energy: -354.365
where: short stacking energy: -182.809
Base-Backbone interact. energy: -0.166
local terms energy: -276.398409
where:
bonds (distance) C4'-P energy: -74.867
bonds (distance) P-C4' energy: -82.053
flat angles C4'-P-C4' energy: -68.709
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1789.286191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.286191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.286191 (E_RNA)
where:
Base-Base interactions energy: -1239.025
where: short stacking energy: -553.827
Base-Backbone interact. energy: -1.550
local terms energy: -548.711496
where:
bonds (distance) C4'-P energy: -90.133
bonds (distance) P-C4' energy: -97.502
flat angles C4'-P-C4' energy: -117.271
flat angles P-C4'-P energy: -72.861
tors. eta vs tors. theta energy: -170.944
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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1778.840136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.840136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.840136 (E_RNA)
where:
Base-Base interactions energy: -1253.033
where: short stacking energy: -495.588
Base-Backbone interact. energy: -4.139
local terms energy: -521.668226
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -97.547
flat angles C4'-P-C4' energy: -114.111
flat angles P-C4'-P energy: -74.339
tors. eta vs tors. theta energy: -146.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1637.540808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.540808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.540808 (E_RNA)
where:
Base-Base interactions energy: -1148.721
where: short stacking energy: -480.508
Base-Backbone interact. energy: -0.995
local terms energy: -487.824652
where:
bonds (distance) C4'-P energy: -82.050
bonds (distance) P-C4' energy: -90.353
flat angles C4'-P-C4' energy: -102.932
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -139.432
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1669.184023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.184023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.184023 (E_RNA)
where:
Base-Base interactions energy: -1148.097
where: short stacking energy: -499.136
Base-Backbone interact. energy: -1.886
local terms energy: -519.201601
where:
bonds (distance) C4'-P energy: -85.962
bonds (distance) P-C4' energy: -102.778
flat angles C4'-P-C4' energy: -106.209
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -150.602
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: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1515.369114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.369114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.369114 (E_RNA)
where:
Base-Base interactions energy: -1038.842
where: short stacking energy: -444.526
Base-Backbone interact. energy: -2.592
local terms energy: -473.934500
where:
bonds (distance) C4'-P energy: -90.664
bonds (distance) P-C4' energy: -92.901
flat angles C4'-P-C4' energy: -108.588
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -121.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1360.031754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.031754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.031754 (E_RNA)
where:
Base-Base interactions energy: -931.428
where: short stacking energy: -411.817
Base-Backbone interact. energy: -1.760
local terms energy: -426.844082
where:
bonds (distance) C4'-P energy: -83.681
bonds (distance) P-C4' energy: -87.284
flat angles C4'-P-C4' energy: -94.562
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -99.698
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: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1183.165607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.165607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.165607 (E_RNA)
where:
Base-Base interactions energy: -794.202
where: short stacking energy: -363.803
Base-Backbone interact. energy: 1.242
local terms energy: -390.205087
where:
bonds (distance) C4'-P energy: -75.160
bonds (distance) P-C4' energy: -72.050
flat angles C4'-P-C4' energy: -86.025
flat angles P-C4'-P energy: -64.976
tors. eta vs tors. theta energy: -91.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1010.085909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.085909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.085909 (E_RNA)
where:
Base-Base interactions energy: -643.116
where: short stacking energy: -288.956
Base-Backbone interact. energy: -1.363
local terms energy: -365.607126
where:
bonds (distance) C4'-P energy: -83.696
bonds (distance) P-C4' energy: -82.913
flat angles C4'-P-C4' energy: -88.754
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -64.425
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: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -799.592203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.592203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.592203 (E_RNA)
where:
Base-Base interactions energy: -482.111
where: short stacking energy: -239.430
Base-Backbone interact. energy: -0.815
local terms energy: -316.665804
where:
bonds (distance) C4'-P energy: -70.358
bonds (distance) P-C4' energy: -79.366
flat angles C4'-P-C4' energy: -66.707
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -35.657
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: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -666.330068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.330068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.330068 (E_RNA)
where:
Base-Base interactions energy: -374.540
where: short stacking energy: -198.076
Base-Backbone interact. energy: 5.067
local terms energy: -296.856895
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -46.853
tors. eta vs tors. theta energy: -20.939
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: 314
Temperature: 0.900000
Total energy: -1842.380047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.380047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.380047 (E_RNA)
where:
Base-Base interactions energy: -1300.127
where: short stacking energy: -510.908
Base-Backbone interact. energy: -3.703
local terms energy: -538.550211
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -97.960
flat angles C4'-P-C4' energy: -105.702
flat angles P-C4'-P energy: -82.855
tors. eta vs tors. theta energy: -153.127
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: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1746.636350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.636350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.636350 (E_RNA)
where:
Base-Base interactions energy: -1190.376
where: short stacking energy: -533.745
Base-Backbone interact. energy: -0.672
local terms energy: -555.588488
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -103.749
flat angles C4'-P-C4' energy: -110.463
flat angles P-C4'-P energy: -76.789
tors. eta vs tors. theta energy: -175.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1658.630941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.630941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.630941 (E_RNA)
where:
Base-Base interactions energy: -1141.169
where: short stacking energy: -504.767
Base-Backbone interact. energy: -1.062
local terms energy: -516.400355
where:
bonds (distance) C4'-P energy: -97.759
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -98.203
flat angles P-C4'-P energy: -65.029
tors. eta vs tors. theta energy: -152.546
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: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1655.426329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.426329 (E_RNA)
where:
Base-Base interactions energy: -1144.505
where: short stacking energy: -484.506
Base-Backbone interact. energy: 0.106
local terms energy: -511.026885
where:
bonds (distance) C4'-P energy: -83.316
bonds (distance) P-C4' energy: -106.580
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -60.615
tors. eta vs tors. theta energy: -145.828
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: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1396.224309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.224309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.224309 (E_RNA)
where:
Base-Base interactions energy: -957.835
where: short stacking energy: -439.709
Base-Backbone interact. energy: -0.610
local terms energy: -437.779366
where:
bonds (distance) C4'-P energy: -87.860
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -98.336
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: -113.238
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: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1455.408354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.408354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.408354 (E_RNA)
where:
Base-Base interactions energy: -1003.657
where: short stacking energy: -439.807
Base-Backbone interact. energy: 1.558
local terms energy: -453.309549
where:
bonds (distance) C4'-P energy: -79.386
bonds (distance) P-C4' energy: -83.760
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -63.597
tors. eta vs tors. theta energy: -126.284
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: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1077.746551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.746551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.746551 (E_RNA)
where:
Base-Base interactions energy: -704.112
where: short stacking energy: -306.811
Base-Backbone interact. energy: -0.855
local terms energy: -372.779223
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -76.134
flat angles C4'-P-C4' energy: -88.080
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -70.350
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1065.833082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.833082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.833082 (E_RNA)
where:
Base-Base interactions energy: -682.936
where: short stacking energy: -316.799
Base-Backbone interact. energy: 0.973
local terms energy: -383.870533
where:
bonds (distance) C4'-P energy: -85.727
bonds (distance) P-C4' energy: -85.080
flat angles C4'-P-C4' energy: -84.263
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -73.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -850.013185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.013185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.013185 (E_RNA)
where:
Base-Base interactions energy: -499.386
where: short stacking energy: -242.750
Base-Backbone interact. energy: -1.727
local terms energy: -348.900162
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -90.902
flat angles C4'-P-C4' energy: -76.725
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -49.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -655.775879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.775879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.775879 (E_RNA)
where:
Base-Base interactions energy: -362.732
where: short stacking energy: -181.077
Base-Backbone interact. energy: 1.922
local terms energy: -294.966610
where:
bonds (distance) C4'-P energy: -90.614
bonds (distance) P-C4' energy: -86.885
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: 4.884
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: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1826.413214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.413214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.413214 (E_RNA)
where:
Base-Base interactions energy: -1298.577
where: short stacking energy: -524.339
Base-Backbone interact. energy: -2.887
local terms energy: -524.948968
where:
bonds (distance) C4'-P energy: -88.036
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -111.835
flat angles P-C4'-P energy: -78.898
tors. eta vs tors. theta energy: -142.640
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: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1743.163177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.163177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.163177 (E_RNA)
where:
Base-Base interactions energy: -1193.939
where: short stacking energy: -530.189
Base-Backbone interact. energy: -1.670
local terms energy: -547.554469
where:
bonds (distance) C4'-P energy: -93.131
bonds (distance) P-C4' energy: -95.699
flat angles C4'-P-C4' energy: -110.985
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -175.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1614.841233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.841233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.841233 (E_RNA)
where:
Base-Base interactions energy: -1105.546
where: short stacking energy: -498.628
Base-Backbone interact. energy: -0.781
local terms energy: -508.514805
where:
bonds (distance) C4'-P energy: -83.819
bonds (distance) P-C4' energy: -96.067
flat angles C4'-P-C4' energy: -109.280
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -146.442
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: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1647.811794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.811794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.811794 (E_RNA)
where:
Base-Base interactions energy: -1141.138
where: short stacking energy: -506.634
Base-Backbone interact. energy: -2.009
local terms energy: -504.665306
where:
bonds (distance) C4'-P energy: -88.998
bonds (distance) P-C4' energy: -92.109
flat angles C4'-P-C4' energy: -104.719
flat angles P-C4'-P energy: -69.099
tors. eta vs tors. theta energy: -149.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1405.509166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.509166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.509166 (E_RNA)
where:
Base-Base interactions energy: -947.824
where: short stacking energy: -423.713
Base-Backbone interact. energy: -2.205
local terms energy: -455.479727
where:
bonds (distance) C4'-P energy: -77.768
bonds (distance) P-C4' energy: -93.805
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -120.356
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: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1397.767763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.767763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.767763 (E_RNA)
where:
Base-Base interactions energy: -960.551
where: short stacking energy: -406.766
Base-Backbone interact. energy: -0.375
local terms energy: -436.842331
where:
bonds (distance) C4'-P energy: -79.026
bonds (distance) P-C4' energy: -97.316
flat angles C4'-P-C4' energy: -85.886
flat angles P-C4'-P energy: -60.258
tors. eta vs tors. theta energy: -114.356
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: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1172.858385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.858385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.858385 (E_RNA)
where:
Base-Base interactions energy: -776.425
where: short stacking energy: -346.344
Base-Backbone interact. energy: -2.516
local terms energy: -393.917206
where:
bonds (distance) C4'-P energy: -88.258
bonds (distance) P-C4' energy: -84.548
flat angles C4'-P-C4' energy: -92.433
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -77.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1061.838138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.838138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.838138 (E_RNA)
where:
Base-Base interactions energy: -686.044
where: short stacking energy: -300.347
Base-Backbone interact. energy: -1.571
local terms energy: -374.223238
where:
bonds (distance) C4'-P energy: -88.691
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -94.077
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -63.789
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: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -773.996208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.996208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.996208 (E_RNA)
where:
Base-Base interactions energy: -471.288
where: short stacking energy: -216.945
Base-Backbone interact. energy: 1.899
local terms energy: -304.607900
where:
bonds (distance) C4'-P energy: -71.014
bonds (distance) P-C4' energy: -74.106
flat angles C4'-P-C4' energy: -81.055
flat angles P-C4'-P energy: -44.301
tors. eta vs tors. theta energy: -34.132
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: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -667.220470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.220470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.220470 (E_RNA)
where:
Base-Base interactions energy: -375.213
where: short stacking energy: -195.285
Base-Backbone interact. energy: 0.986
local terms energy: -292.993206
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -12.952
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: 316
Temperature: 0.900000
Total energy: -1834.579675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.579675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.579675 (E_RNA)
where:
Base-Base interactions energy: -1295.689
where: short stacking energy: -508.409
Base-Backbone interact. energy: -2.724
local terms energy: -536.167083
where:
bonds (distance) C4'-P energy: -98.507
bonds (distance) P-C4' energy: -93.985
flat angles C4'-P-C4' energy: -120.777
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -155.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1720.774076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.774076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.774076 (E_RNA)
where:
Base-Base interactions energy: -1178.615
where: short stacking energy: -524.651
Base-Backbone interact. energy: -0.820
local terms energy: -541.338951
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -96.480
flat angles C4'-P-C4' energy: -112.167
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -167.216
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: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1721.295346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.295346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.295346 (E_RNA)
where:
Base-Base interactions energy: -1193.881
where: short stacking energy: -517.018
Base-Backbone interact. energy: -0.745
local terms energy: -526.668950
where:
bonds (distance) C4'-P energy: -102.325
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -106.619
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -159.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1602.773880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.773880 (E_RNA)
where:
Base-Base interactions energy: -1104.413
where: short stacking energy: -473.403
Base-Backbone interact. energy: -0.914
local terms energy: -497.447050
where:
bonds (distance) C4'-P energy: -97.041
bonds (distance) P-C4' energy: -91.117
flat angles C4'-P-C4' energy: -100.962
flat angles P-C4'-P energy: -62.857
tors. eta vs tors. theta energy: -145.469
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: 316
Temperature: 1.100000
Total energy: -1458.505700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.505700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.505700 (E_RNA)
where:
Base-Base interactions energy: -1007.491
where: short stacking energy: -424.817
Base-Backbone interact. energy: -1.161
local terms energy: -449.853705
where:
bonds (distance) C4'-P energy: -81.636
bonds (distance) P-C4' energy: -86.533
flat angles C4'-P-C4' energy: -96.519
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -118.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1363.325564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.325564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.325564 (E_RNA)
where:
Base-Base interactions energy: -917.447
where: short stacking energy: -417.264
Base-Backbone interact. energy: 3.190
local terms energy: -449.068762
where:
bonds (distance) C4'-P energy: -73.045
bonds (distance) P-C4' energy: -88.840
flat angles C4'-P-C4' energy: -97.068
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: -109.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1140.449895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.449895 (E_RNA)
where:
Base-Base interactions energy: -760.322
where: short stacking energy: -339.419
Base-Backbone interact. energy: 1.271
local terms energy: -381.399208
where:
bonds (distance) C4'-P energy: -84.699
bonds (distance) P-C4' energy: -94.095
flat angles C4'-P-C4' energy: -83.002
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -69.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1101.850342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.850342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.850342 (E_RNA)
where:
Base-Base interactions energy: -722.639
where: short stacking energy: -304.494
Base-Backbone interact. energy: -0.922
local terms energy: -378.288980
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -89.631
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: -68.226
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -763.054227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.054227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.054227 (E_RNA)
where:
Base-Base interactions energy: -455.923
where: short stacking energy: -208.841
Base-Backbone interact. energy: -0.728
local terms energy: -306.403315
where:
bonds (distance) C4'-P energy: -78.048
bonds (distance) P-C4' energy: -88.310
flat angles C4'-P-C4' energy: -81.192
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -653.305411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.305411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.305411 (E_RNA)
where:
Base-Base interactions energy: -359.317
where: short stacking energy: -182.881
Base-Backbone interact. energy: -1.163
local terms energy: -292.825183
where:
bonds (distance) C4'-P energy: -68.105
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -76.315
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -25.607
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1822.561518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.561518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.561518 (E_RNA)
where:
Base-Base interactions energy: -1284.147
where: short stacking energy: -522.220
Base-Backbone interact. energy: -3.337
local terms energy: -535.077605
where:
bonds (distance) C4'-P energy: -92.513
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -109.814
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -156.058
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1743.597742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.597742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.597742 (E_RNA)
where:
Base-Base interactions energy: -1192.752
where: short stacking energy: -533.048
Base-Backbone interact. energy: -3.545
local terms energy: -547.300552
where:
bonds (distance) C4'-P energy: -81.746
bonds (distance) P-C4' energy: -99.277
flat angles C4'-P-C4' energy: -111.988
flat angles P-C4'-P energy: -81.917
tors. eta vs tors. theta energy: -172.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1704.559356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.559356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.559356 (E_RNA)
where:
Base-Base interactions energy: -1156.933
where: short stacking energy: -481.472
Base-Backbone interact. energy: -2.675
local terms energy: -544.951131
where:
bonds (distance) C4'-P energy: -97.815
bonds (distance) P-C4' energy: -111.784
flat angles C4'-P-C4' energy: -111.660
flat angles P-C4'-P energy: -69.084
tors. eta vs tors. theta energy: -154.608
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: 317
Temperature: 1.050000
Total energy: -1615.402233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.402233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.402233 (E_RNA)
where:
Base-Base interactions energy: -1120.712
where: short stacking energy: -490.143
Base-Backbone interact. energy: -1.998
local terms energy: -492.691810
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -87.863
flat angles C4'-P-C4' energy: -110.480
flat angles P-C4'-P energy: -65.057
tors. eta vs tors. theta energy: -135.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1484.153492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.153492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.153492 (E_RNA)
where:
Base-Base interactions energy: -1014.849
where: short stacking energy: -438.944
Base-Backbone interact. energy: -1.779
local terms energy: -467.526358
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -97.562
flat angles P-C4'-P energy: -69.870
tors. eta vs tors. theta energy: -120.727
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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1315.314369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.314369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.314369 (E_RNA)
where:
Base-Base interactions energy: -879.552
where: short stacking energy: -371.912
Base-Backbone interact. energy: -0.295
local terms energy: -435.467798
where:
bonds (distance) C4'-P energy: -81.946
bonds (distance) P-C4' energy: -94.977
flat angles C4'-P-C4' energy: -98.816
flat angles P-C4'-P energy: -65.773
tors. eta vs tors. theta energy: -93.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1082.141749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.141749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.141749 (E_RNA)
where:
Base-Base interactions energy: -729.261
where: short stacking energy: -329.218
Base-Backbone interact. energy: -1.144
local terms energy: -351.736486
where:
bonds (distance) C4'-P energy: -87.670
bonds (distance) P-C4' energy: -82.728
flat angles C4'-P-C4' energy: -85.731
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -60.245
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1113.923406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.923406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.923406 (E_RNA)
where:
Base-Base interactions energy: -736.381
where: short stacking energy: -342.479
Base-Backbone interact. energy: -4.399
local terms energy: -373.143138
where:
bonds (distance) C4'-P energy: -77.992
bonds (distance) P-C4' energy: -79.136
flat angles C4'-P-C4' energy: -80.512
flat angles P-C4'-P energy: -53.525
tors. eta vs tors. theta energy: -81.978
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: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -773.861882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.861882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.861882 (E_RNA)
where:
Base-Base interactions energy: -452.983
where: short stacking energy: -226.515
Base-Backbone interact. energy: -0.979
local terms energy: -319.899828
where:
bonds (distance) C4'-P energy: -75.022
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -70.482
flat angles P-C4'-P energy: -66.081
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -644.606810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.606810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.606810 (E_RNA)
where:
Base-Base interactions energy: -396.382
where: short stacking energy: -205.208
Base-Backbone interact. energy: 0.286
local terms energy: -248.511316
where:
bonds (distance) C4'-P energy: -61.636
bonds (distance) P-C4' energy: -83.421
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -7.216
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: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1812.280547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.280547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.280547 (E_RNA)
where:
Base-Base interactions energy: -1274.491
where: short stacking energy: -493.724
Base-Backbone interact. energy: -0.686
local terms energy: -537.103977
where:
bonds (distance) C4'-P energy: -100.312
bonds (distance) P-C4' energy: -99.768
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -77.946
tors. eta vs tors. theta energy: -143.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1725.943595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.943595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.943595 (E_RNA)
where:
Base-Base interactions energy: -1180.805
where: short stacking energy: -516.233
Base-Backbone interact. energy: -1.966
local terms energy: -543.172630
where:
bonds (distance) C4'-P energy: -97.412
bonds (distance) P-C4' energy: -108.754
flat angles C4'-P-C4' energy: -101.922
flat angles P-C4'-P energy: -75.984
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: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1697.668844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.668844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.668844 (E_RNA)
where:
Base-Base interactions energy: -1217.456
where: short stacking energy: -522.193
Base-Backbone interact. energy: -0.940
local terms energy: -479.272992
where:
bonds (distance) C4'-P energy: -74.803
bonds (distance) P-C4' energy: -80.789
flat angles C4'-P-C4' energy: -109.109
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -144.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1604.089640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.089640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.089640 (E_RNA)
where:
Base-Base interactions energy: -1118.934
where: short stacking energy: -463.612
Base-Backbone interact. energy: -0.803
local terms energy: -484.352817
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -83.637
flat angles C4'-P-C4' energy: -108.528
flat angles P-C4'-P energy: -72.129
tors. eta vs tors. theta energy: -128.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1465.294623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.294623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.294623 (E_RNA)
where:
Base-Base interactions energy: -994.885
where: short stacking energy: -428.153
Base-Backbone interact. energy: -1.391
local terms energy: -469.018470
where:
bonds (distance) C4'-P energy: -85.119
bonds (distance) P-C4' energy: -88.443
flat angles C4'-P-C4' energy: -103.026
flat angles P-C4'-P energy: -72.662
tors. eta vs tors. theta energy: -119.768
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: 318
Temperature: 1.150000
Total energy: -1361.898718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.898718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.898718 (E_RNA)
where:
Base-Base interactions energy: -902.252
where: short stacking energy: -412.242
Base-Backbone interact. energy: -0.797
local terms energy: -458.849565
where:
bonds (distance) C4'-P energy: -89.898
bonds (distance) P-C4' energy: -90.570
flat angles C4'-P-C4' energy: -102.142
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -113.740
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: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1113.622423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.622423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.622423 (E_RNA)
where:
Base-Base interactions energy: -733.033
where: short stacking energy: -338.410
Base-Backbone interact. energy: -2.593
local terms energy: -377.996462
where:
bonds (distance) C4'-P energy: -82.630
bonds (distance) P-C4' energy: -78.402
flat angles C4'-P-C4' energy: -87.188
flat angles P-C4'-P energy: -61.262
tors. eta vs tors. theta energy: -68.515
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: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1090.446513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.446513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.446513 (E_RNA)
where:
Base-Base interactions energy: -717.736
where: short stacking energy: -326.626
Base-Backbone interact. energy: 3.531
local terms energy: -376.241613
where:
bonds (distance) C4'-P energy: -87.974
bonds (distance) P-C4' energy: -86.884
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -52.262
tors. eta vs tors. theta energy: -75.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -771.874222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.874222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.874222 (E_RNA)
where:
Base-Base interactions energy: -447.713
where: short stacking energy: -213.131
Base-Backbone interact. energy: 0.058
local terms energy: -324.218872
where:
bonds (distance) C4'-P energy: -70.299
bonds (distance) P-C4' energy: -96.292
flat angles C4'-P-C4' energy: -93.580
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -17.693
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: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -668.410234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.410234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.410234 (E_RNA)
where:
Base-Base interactions energy: -378.756
where: short stacking energy: -200.594
Base-Backbone interact. energy: 5.199
local terms energy: -294.852727
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -88.453
flat angles C4'-P-C4' energy: -65.376
flat angles P-C4'-P energy: -47.378
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1834.416878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.416878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.416878 (E_RNA)
where:
Base-Base interactions energy: -1278.211
where: short stacking energy: -524.311
Base-Backbone interact. energy: -2.274
local terms energy: -553.931379
where:
bonds (distance) C4'-P energy: -92.859
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -117.290
flat angles P-C4'-P energy: -84.188
tors. eta vs tors. theta energy: -158.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1755.399441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.399441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.399441 (E_RNA)
where:
Base-Base interactions energy: -1224.781
where: short stacking energy: -519.856
Base-Backbone interact. energy: -1.143
local terms energy: -529.475780
where:
bonds (distance) C4'-P energy: -93.313
bonds (distance) P-C4' energy: -100.628
flat angles C4'-P-C4' energy: -106.710
flat angles P-C4'-P energy: -70.099
tors. eta vs tors. theta energy: -158.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1714.267568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.267568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.267568 (E_RNA)
where:
Base-Base interactions energy: -1183.305
where: short stacking energy: -526.243
Base-Backbone interact. energy: -2.305
local terms energy: -528.657406
where:
bonds (distance) C4'-P energy: -88.995
bonds (distance) P-C4' energy: -91.592
flat angles C4'-P-C4' energy: -107.839
flat angles P-C4'-P energy: -76.124
tors. eta vs tors. theta energy: -164.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1563.105168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.105168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.105168 (E_RNA)
where:
Base-Base interactions energy: -1083.350
where: short stacking energy: -448.031
Base-Backbone interact. energy: 0.381
local terms energy: -480.136017
where:
bonds (distance) C4'-P energy: -83.929
bonds (distance) P-C4' energy: -89.802
flat angles C4'-P-C4' energy: -102.872
flat angles P-C4'-P energy: -68.571
tors. eta vs tors. theta energy: -134.962
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: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1428.659689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.659689 (E_RNA)
where:
Base-Base interactions energy: -977.464
where: short stacking energy: -405.873
Base-Backbone interact. energy: 0.825
local terms energy: -452.020624
where:
bonds (distance) C4'-P energy: -96.465
bonds (distance) P-C4' energy: -78.191
flat angles C4'-P-C4' energy: -96.815
flat angles P-C4'-P energy: -64.856
tors. eta vs tors. theta energy: -115.694
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: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1355.728281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.728281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.728281 (E_RNA)
where:
Base-Base interactions energy: -888.116
where: short stacking energy: -409.919
Base-Backbone interact. energy: -2.183
local terms energy: -465.429341
where:
bonds (distance) C4'-P energy: -78.510
bonds (distance) P-C4' energy: -94.386
flat angles C4'-P-C4' energy: -99.789
flat angles P-C4'-P energy: -74.930
tors. eta vs tors. theta energy: -117.815
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: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1180.607087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.607087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.607087 (E_RNA)
where:
Base-Base interactions energy: -789.247
where: short stacking energy: -335.045
Base-Backbone interact. energy: -0.799
local terms energy: -390.560766
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -65.177
tors. eta vs tors. theta energy: -72.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1043.372763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.372763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.372763 (E_RNA)
where:
Base-Base interactions energy: -678.493
where: short stacking energy: -300.793
Base-Backbone interact. energy: -3.580
local terms energy: -361.300249
where:
bonds (distance) C4'-P energy: -79.706
bonds (distance) P-C4' energy: -74.468
flat angles C4'-P-C4' energy: -92.026
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -56.288
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -799.018826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.018826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.018826 (E_RNA)
where:
Base-Base interactions energy: -460.394
where: short stacking energy: -211.358
Base-Backbone interact. energy: -0.682
local terms energy: -337.943008
where:
bonds (distance) C4'-P energy: -83.700
bonds (distance) P-C4' energy: -84.967
flat angles C4'-P-C4' energy: -80.947
flat angles P-C4'-P energy: -55.520
tors. eta vs tors. theta energy: -32.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -688.622969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.622969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.622969 (E_RNA)
where:
Base-Base interactions energy: -387.286
where: short stacking energy: -181.602
Base-Backbone interact. energy: 4.155
local terms energy: -305.492126
where:
bonds (distance) C4'-P energy: -86.136
bonds (distance) P-C4' energy: -65.637
flat angles C4'-P-C4' energy: -81.946
flat angles P-C4'-P energy: -56.571
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1834.800781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.800781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.800781 (E_RNA)
where:
Base-Base interactions energy: -1277.951
where: short stacking energy: -502.746
Base-Backbone interact. energy: -0.500
local terms energy: -556.350069
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -107.678
flat angles C4'-P-C4' energy: -119.723
flat angles P-C4'-P energy: -78.573
tors. eta vs tors. theta energy: -156.116
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: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1758.457709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.457709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.457709 (E_RNA)
where:
Base-Base interactions energy: -1231.981
where: short stacking energy: -527.511
Base-Backbone interact. energy: -0.916
local terms energy: -525.560981
where:
bonds (distance) C4'-P energy: -99.302
bonds (distance) P-C4' energy: -86.828
flat angles C4'-P-C4' energy: -104.801
flat angles P-C4'-P energy: -73.940
tors. eta vs tors. theta energy: -160.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1722.121348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.121348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.121348 (E_RNA)
where:
Base-Base interactions energy: -1161.623
where: short stacking energy: -530.430
Base-Backbone interact. energy: -2.294
local terms energy: -558.204459
where:
bonds (distance) C4'-P energy: -93.942
bonds (distance) P-C4' energy: -99.975
flat angles C4'-P-C4' energy: -115.932
flat angles P-C4'-P energy: -82.713
tors. eta vs tors. theta energy: -165.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1593.947814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.947814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.947814 (E_RNA)
where:
Base-Base interactions energy: -1116.802
where: short stacking energy: -453.232
Base-Backbone interact. energy: 0.034
local terms energy: -477.180490
where:
bonds (distance) C4'-P energy: -92.447
bonds (distance) P-C4' energy: -90.652
flat angles C4'-P-C4' energy: -101.458
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -124.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1385.663492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.663492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.663492 (E_RNA)
where:
Base-Base interactions energy: -938.390
where: short stacking energy: -422.216
Base-Backbone interact. energy: 1.046
local terms energy: -448.319287
where:
bonds (distance) C4'-P energy: -82.067
bonds (distance) P-C4' energy: -88.879
flat angles C4'-P-C4' energy: -92.571
flat angles P-C4'-P energy: -71.106
tors. eta vs tors. theta energy: -113.696
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: 320
Temperature: 1.150000
Total energy: -1399.895520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.895520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.895520 (E_RNA)
where:
Base-Base interactions energy: -952.188
where: short stacking energy: -426.699
Base-Backbone interact. energy: -4.228
local terms energy: -443.479196
where:
bonds (distance) C4'-P energy: -83.683
bonds (distance) P-C4' energy: -87.145
flat angles C4'-P-C4' energy: -96.660
flat angles P-C4'-P energy: -71.612
tors. eta vs tors. theta energy: -104.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1215.211299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.211299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.211299 (E_RNA)
where:
Base-Base interactions energy: -814.772
where: short stacking energy: -359.575
Base-Backbone interact. energy: 0.085
local terms energy: -400.524058
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -94.286
flat angles C4'-P-C4' energy: -88.357
flat angles P-C4'-P energy: -69.568
tors. eta vs tors. theta energy: -85.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1125.751278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.751278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.751278 (E_RNA)
where:
Base-Base interactions energy: -715.026
where: short stacking energy: -329.648
Base-Backbone interact. energy: -1.836
local terms energy: -408.889303
where:
bonds (distance) C4'-P energy: -84.630
bonds (distance) P-C4' energy: -80.145
flat angles C4'-P-C4' energy: -101.830
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -75.567
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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -800.656844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.656844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.656844 (E_RNA)
where:
Base-Base interactions energy: -468.910
where: short stacking energy: -229.176
Base-Backbone interact. energy: 0.463
local terms energy: -332.209810
where:
bonds (distance) C4'-P energy: -81.959
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -77.926
flat angles P-C4'-P energy: -56.675
tors. eta vs tors. theta energy: -43.009
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: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -690.117187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.117187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.117187 (E_RNA)
where:
Base-Base interactions energy: -432.080
where: short stacking energy: -212.638
Base-Backbone interact. energy: 1.226
local terms energy: -259.263047
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -75.897
flat angles C4'-P-C4' energy: -59.048
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -31.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1819.908210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.908210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.908210 (E_RNA)
where:
Base-Base interactions energy: -1289.594
where: short stacking energy: -520.204
Base-Backbone interact. energy: -2.106
local terms energy: -528.208787
where:
bonds (distance) C4'-P energy: -94.447
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -113.226
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -146.915
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1771.727039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.727039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.727039 (E_RNA)
where:
Base-Base interactions energy: -1236.959
where: short stacking energy: -527.043
Base-Backbone interact. energy: -0.032
local terms energy: -534.736183
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -95.177
flat angles C4'-P-C4' energy: -110.894
flat angles P-C4'-P energy: -81.450
tors. eta vs tors. theta energy: -156.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1739.102527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.102527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.102527 (E_RNA)
where:
Base-Base interactions energy: -1170.232
where: short stacking energy: -533.697
Base-Backbone interact. energy: -1.903
local terms energy: -566.968405
where:
bonds (distance) C4'-P energy: -99.962
bonds (distance) P-C4' energy: -92.904
flat angles C4'-P-C4' energy: -113.556
flat angles P-C4'-P energy: -84.617
tors. eta vs tors. theta energy: -175.930
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: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1612.115741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.115741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.115741 (E_RNA)
where:
Base-Base interactions energy: -1126.907
where: short stacking energy: -472.245
Base-Backbone interact. energy: -2.359
local terms energy: -482.849541
where:
bonds (distance) C4'-P energy: -82.489
bonds (distance) P-C4' energy: -99.788
flat angles C4'-P-C4' energy: -105.064
flat angles P-C4'-P energy: -77.934
tors. eta vs tors. theta energy: -117.575
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: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1352.394568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.394568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.394568 (E_RNA)
where:
Base-Base interactions energy: -904.354
where: short stacking energy: -411.908
Base-Backbone interact. energy: -2.312
local terms energy: -445.728952
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -90.630
flat angles C4'-P-C4' energy: -86.692
flat angles P-C4'-P energy: -60.680
tors. eta vs tors. theta energy: -124.839
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1379.018969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.018969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.018969 (E_RNA)
where:
Base-Base interactions energy: -956.830
where: short stacking energy: -387.558
Base-Backbone interact. energy: -0.022
local terms energy: -422.166826
where:
bonds (distance) C4'-P energy: -71.301
bonds (distance) P-C4' energy: -94.070
flat angles C4'-P-C4' energy: -87.756
flat angles P-C4'-P energy: -63.363
tors. eta vs tors. theta energy: -105.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1192.330088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.330088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.330088 (E_RNA)
where:
Base-Base interactions energy: -789.401
where: short stacking energy: -378.849
Base-Backbone interact. energy: 2.137
local terms energy: -405.065459
where:
bonds (distance) C4'-P energy: -81.187
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -105.346
flat angles P-C4'-P energy: -52.734
tors. eta vs tors. theta energy: -84.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1062.233803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.233803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.233803 (E_RNA)
where:
Base-Base interactions energy: -698.249
where: short stacking energy: -316.307
Base-Backbone interact. energy: -0.447
local terms energy: -363.538254
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -83.248
flat angles C4'-P-C4' energy: -85.240
flat angles P-C4'-P energy: -60.754
tors. eta vs tors. theta energy: -60.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -782.663546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.663546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.663546 (E_RNA)
where:
Base-Base interactions energy: -495.124
where: short stacking energy: -244.896
Base-Backbone interact. energy: 6.720
local terms energy: -294.259533
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -681.501458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.501458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.501458 (E_RNA)
where:
Base-Base interactions energy: -391.014
where: short stacking energy: -193.777
Base-Backbone interact. energy: -2.669
local terms energy: -287.818334
where:
bonds (distance) C4'-P energy: -83.825
bonds (distance) P-C4' energy: -75.032
flat angles C4'-P-C4' energy: -64.239
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1846.531131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.531131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.531131 (E_RNA)
where:
Base-Base interactions energy: -1303.416
where: short stacking energy: -534.903
Base-Backbone interact. energy: 2.225
local terms energy: -545.339664
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -105.984
flat angles C4'-P-C4' energy: -110.950
flat angles P-C4'-P energy: -67.102
tors. eta vs tors. theta energy: -153.879
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1768.311422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.311422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.311422 (E_RNA)
where:
Base-Base interactions energy: -1228.770
where: short stacking energy: -518.330
Base-Backbone interact. energy: -0.917
local terms energy: -538.623644
where:
bonds (distance) C4'-P energy: -84.673
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -115.361
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -159.942
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1722.967400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.967400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.967400 (E_RNA)
where:
Base-Base interactions energy: -1177.047
where: short stacking energy: -513.403
Base-Backbone interact. energy: -1.818
local terms energy: -544.102980
where:
bonds (distance) C4'-P energy: -99.519
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -72.141
tors. eta vs tors. theta energy: -163.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1592.484115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.484115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.484115 (E_RNA)
where:
Base-Base interactions energy: -1136.127
where: short stacking energy: -459.548
Base-Backbone interact. energy: -1.728
local terms energy: -454.629598
where:
bonds (distance) C4'-P energy: -92.233
bonds (distance) P-C4' energy: -71.501
flat angles C4'-P-C4' energy: -102.294
flat angles P-C4'-P energy: -62.190
tors. eta vs tors. theta energy: -126.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1418.542847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.542847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.542847 (E_RNA)
where:
Base-Base interactions energy: -964.323
where: short stacking energy: -438.995
Base-Backbone interact. energy: -0.988
local terms energy: -453.231565
where:
bonds (distance) C4'-P energy: -75.561
bonds (distance) P-C4' energy: -81.740
flat angles C4'-P-C4' energy: -113.747
flat angles P-C4'-P energy: -67.099
tors. eta vs tors. theta energy: -115.084
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: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1318.050204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.050204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.050204 (E_RNA)
where:
Base-Base interactions energy: -893.691
where: short stacking energy: -376.643
Base-Backbone interact. energy: 0.478
local terms energy: -424.837069
where:
bonds (distance) C4'-P energy: -78.798
bonds (distance) P-C4' energy: -92.772
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -59.521
tors. eta vs tors. theta energy: -98.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1165.621357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.621357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.621357 (E_RNA)
where:
Base-Base interactions energy: -763.490
where: short stacking energy: -357.314
Base-Backbone interact. energy: -1.115
local terms energy: -401.016444
where:
bonds (distance) C4'-P energy: -80.010
bonds (distance) P-C4' energy: -84.036
flat angles C4'-P-C4' energy: -92.736
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -83.633
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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1030.149699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.149699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.149699 (E_RNA)
where:
Base-Base interactions energy: -671.221
where: short stacking energy: -318.101
Base-Backbone interact. energy: -1.271
local terms energy: -357.657447
where:
bonds (distance) C4'-P energy: -76.342
bonds (distance) P-C4' energy: -77.640
flat angles C4'-P-C4' energy: -79.249
flat angles P-C4'-P energy: -54.897
tors. eta vs tors. theta energy: -69.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -784.417870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.417870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.417870 (E_RNA)
where:
Base-Base interactions energy: -466.984
where: short stacking energy: -216.222
Base-Backbone interact. energy: -0.359
local terms energy: -317.074938
where:
bonds (distance) C4'-P energy: -81.740
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -51.201
tors. eta vs tors. theta energy: -25.472
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: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -664.344933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.344933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.344933 (E_RNA)
where:
Base-Base interactions energy: -378.393
where: short stacking energy: -169.344
Base-Backbone interact. energy: 0.087
local terms energy: -286.038979
where:
bonds (distance) C4'-P energy: -75.627
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -69.431
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -18.399
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: 323
Temperature: 0.900000
Total energy: -1815.494416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.494416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.494416 (E_RNA)
where:
Base-Base interactions energy: -1270.121
where: short stacking energy: -521.206
Base-Backbone interact. energy: -3.327
local terms energy: -542.046020
where:
bonds (distance) C4'-P energy: -100.845
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -152.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1766.340346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.340346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.340346 (E_RNA)
where:
Base-Base interactions energy: -1235.664
where: short stacking energy: -504.981
Base-Backbone interact. energy: -0.432
local terms energy: -530.244380
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -102.152
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -149.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1691.075759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.075759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.075759 (E_RNA)
where:
Base-Base interactions energy: -1169.638
where: short stacking energy: -532.249
Base-Backbone interact. energy: -2.570
local terms energy: -518.867049
where:
bonds (distance) C4'-P energy: -79.913
bonds (distance) P-C4' energy: -97.705
flat angles C4'-P-C4' energy: -108.910
flat angles P-C4'-P energy: -64.990
tors. eta vs tors. theta energy: -167.348
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: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1601.424738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.424738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.424738 (E_RNA)
where:
Base-Base interactions energy: -1106.492
where: short stacking energy: -467.526
Base-Backbone interact. energy: -2.927
local terms energy: -492.005969
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -86.595
flat angles C4'-P-C4' energy: -107.251
flat angles P-C4'-P energy: -74.576
tors. eta vs tors. theta energy: -145.172
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1406.902522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.902522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.902522 (E_RNA)
where:
Base-Base interactions energy: -942.970
where: short stacking energy: -426.912
Base-Backbone interact. energy: -1.403
local terms energy: -462.529351
where:
bonds (distance) C4'-P energy: -87.243
bonds (distance) P-C4' energy: -90.185
flat angles C4'-P-C4' energy: -112.185
flat angles P-C4'-P energy: -58.890
tors. eta vs tors. theta energy: -114.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1373.980831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.980831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.980831 (E_RNA)
where:
Base-Base interactions energy: -929.924
where: short stacking energy: -401.844
Base-Backbone interact. energy: 2.882
local terms energy: -446.939603
where:
bonds (distance) C4'-P energy: -94.573
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -100.655
flat angles P-C4'-P energy: -60.521
tors. eta vs tors. theta energy: -108.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1143.496445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.496445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.496445 (E_RNA)
where:
Base-Base interactions energy: -733.256
where: short stacking energy: -315.005
Base-Backbone interact. energy: -1.108
local terms energy: -409.131865
where:
bonds (distance) C4'-P energy: -87.539
bonds (distance) P-C4' energy: -94.763
flat angles C4'-P-C4' energy: -90.042
flat angles P-C4'-P energy: -69.569
tors. eta vs tors. theta energy: -67.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1033.950917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.950917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.950917 (E_RNA)
where:
Base-Base interactions energy: -683.000
where: short stacking energy: -312.792
Base-Backbone interact. energy: 1.278
local terms energy: -352.229003
where:
bonds (distance) C4'-P energy: -82.887
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -81.304
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: -62.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -797.075397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.075397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.075397 (E_RNA)
where:
Base-Base interactions energy: -480.188
where: short stacking energy: -225.146
Base-Backbone interact. energy: 3.938
local terms energy: -320.825052
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -84.548
flat angles C4'-P-C4' energy: -82.560
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -21.950
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: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -603.756978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.756978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.756978 (E_RNA)
where:
Base-Base interactions energy: -295.205
where: short stacking energy: -157.293
Base-Backbone interact. energy: -1.741
local terms energy: -306.811117
where:
bonds (distance) C4'-P energy: -73.903
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -78.360
flat angles P-C4'-P energy: -55.075
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1823.331191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.331191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.331191 (E_RNA)
where:
Base-Base interactions energy: -1271.620
where: short stacking energy: -534.792
Base-Backbone interact. energy: -2.746
local terms energy: -548.965268
where:
bonds (distance) C4'-P energy: -105.224
bonds (distance) P-C4' energy: -100.603
flat angles C4'-P-C4' energy: -117.275
flat angles P-C4'-P energy: -77.188
tors. eta vs tors. theta energy: -148.675
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: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1756.388879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.388879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.388879 (E_RNA)
where:
Base-Base interactions energy: -1223.575
where: short stacking energy: -548.030
Base-Backbone interact. energy: -0.334
local terms energy: -532.479499
where:
bonds (distance) C4'-P energy: -88.899
bonds (distance) P-C4' energy: -102.660
flat angles C4'-P-C4' energy: -100.967
flat angles P-C4'-P energy: -73.465
tors. eta vs tors. theta energy: -166.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1699.740792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.740792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.740792 (E_RNA)
where:
Base-Base interactions energy: -1166.432
where: short stacking energy: -502.095
Base-Backbone interact. energy: -1.629
local terms energy: -531.679664
where:
bonds (distance) C4'-P energy: -99.833
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -113.179
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -156.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1650.759225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.759225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.759225 (E_RNA)
where:
Base-Base interactions energy: -1151.413
where: short stacking energy: -480.451
Base-Backbone interact. energy: -2.551
local terms energy: -496.795804
where:
bonds (distance) C4'-P energy: -83.015
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -105.852
flat angles P-C4'-P energy: -75.408
tors. eta vs tors. theta energy: -134.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1387.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.774543 (E_RNA)
where:
Base-Base interactions energy: -920.524
where: short stacking energy: -415.214
Base-Backbone interact. energy: -0.874
local terms energy: -466.376628
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -90.856
flat angles C4'-P-C4' energy: -109.419
flat angles P-C4'-P energy: -71.668
tors. eta vs tors. theta energy: -115.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1397.170637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.170637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.170637 (E_RNA)
where:
Base-Base interactions energy: -963.515
where: short stacking energy: -419.800
Base-Backbone interact. energy: -0.063
local terms energy: -433.592051
where:
bonds (distance) C4'-P energy: -80.798
bonds (distance) P-C4' energy: -93.518
flat angles C4'-P-C4' energy: -90.215
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -104.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1148.726116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.726116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.726116 (E_RNA)
where:
Base-Base interactions energy: -775.722
where: short stacking energy: -339.862
Base-Backbone interact. energy: 2.899
local terms energy: -375.903251
where:
bonds (distance) C4'-P energy: -79.745
bonds (distance) P-C4' energy: -74.939
flat angles C4'-P-C4' energy: -92.329
flat angles P-C4'-P energy: -59.762
tors. eta vs tors. theta energy: -69.129
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: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1007.887624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.887624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.887624 (E_RNA)
where:
Base-Base interactions energy: -637.435
where: short stacking energy: -281.509
Base-Backbone interact. energy: 0.968
local terms energy: -371.420054
where:
bonds (distance) C4'-P energy: -88.532
bonds (distance) P-C4' energy: -83.211
flat angles C4'-P-C4' energy: -81.066
flat angles P-C4'-P energy: -62.225
tors. eta vs tors. theta energy: -56.386
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -760.955698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.955698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.955698 (E_RNA)
where:
Base-Base interactions energy: -461.360
where: short stacking energy: -236.000
Base-Backbone interact. energy: -1.738
local terms energy: -297.857753
where:
bonds (distance) C4'-P energy: -71.744
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -78.503
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -33.864
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -627.837664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.837664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.837664 (E_RNA)
where:
Base-Base interactions energy: -339.053
where: short stacking energy: -197.422
Base-Backbone interact. energy: -1.067
local terms energy: -287.717371
where:
bonds (distance) C4'-P energy: -86.548
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -75.530
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1825.016665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.016665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.016665 (E_RNA)
where:
Base-Base interactions energy: -1273.154
where: short stacking energy: -513.151
Base-Backbone interact. energy: -2.031
local terms energy: -549.832304
where:
bonds (distance) C4'-P energy: -102.734
bonds (distance) P-C4' energy: -106.106
flat angles C4'-P-C4' energy: -114.255
flat angles P-C4'-P energy: -75.037
tors. eta vs tors. theta energy: -151.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1777.286996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.286996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.286996 (E_RNA)
where:
Base-Base interactions energy: -1238.955
where: short stacking energy: -550.528
Base-Backbone interact. energy: -1.014
local terms energy: -537.318037
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -118.051
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -167.902
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: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1699.852788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.852788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.852788 (E_RNA)
where:
Base-Base interactions energy: -1167.958
where: short stacking energy: -510.427
Base-Backbone interact. energy: 0.001
local terms energy: -531.895895
where:
bonds (distance) C4'-P energy: -83.128
bonds (distance) P-C4' energy: -92.092
flat angles C4'-P-C4' energy: -105.020
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -173.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1616.317466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.317466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.317466 (E_RNA)
where:
Base-Base interactions energy: -1123.152
where: short stacking energy: -457.769
Base-Backbone interact. energy: -2.308
local terms energy: -490.857741
where:
bonds (distance) C4'-P energy: -80.515
bonds (distance) P-C4' energy: -96.985
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -63.130
tors. eta vs tors. theta energy: -144.938
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: 325
Temperature: 1.100000
Total energy: -1384.857599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.857599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.857599 (E_RNA)
where:
Base-Base interactions energy: -933.065
where: short stacking energy: -407.419
Base-Backbone interact. energy: -1.234
local terms energy: -450.558487
where:
bonds (distance) C4'-P energy: -85.469
bonds (distance) P-C4' energy: -86.662
flat angles C4'-P-C4' energy: -112.251
flat angles P-C4'-P energy: -61.541
tors. eta vs tors. theta energy: -104.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1410.808284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.808284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.808284 (E_RNA)
where:
Base-Base interactions energy: -972.161
where: short stacking energy: -418.323
Base-Backbone interact. energy: -0.585
local terms energy: -438.062585
where:
bonds (distance) C4'-P energy: -82.048
bonds (distance) P-C4' energy: -82.379
flat angles C4'-P-C4' energy: -96.668
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -112.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1162.377519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.377519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.377519 (E_RNA)
where:
Base-Base interactions energy: -763.973
where: short stacking energy: -327.243
Base-Backbone interact. energy: -0.799
local terms energy: -397.605124
where:
bonds (distance) C4'-P energy: -86.524
bonds (distance) P-C4' energy: -82.780
flat angles C4'-P-C4' energy: -92.700
flat angles P-C4'-P energy: -64.319
tors. eta vs tors. theta energy: -71.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1024.473027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.473027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.473027 (E_RNA)
where:
Base-Base interactions energy: -658.265
where: short stacking energy: -301.248
Base-Backbone interact. energy: -2.019
local terms energy: -364.189042
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -72.959
flat angles C4'-P-C4' energy: -84.181
flat angles P-C4'-P energy: -58.795
tors. eta vs tors. theta energy: -62.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -732.035563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.035563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.035563 (E_RNA)
where:
Base-Base interactions energy: -436.548
where: short stacking energy: -231.076
Base-Backbone interact. energy: -1.284
local terms energy: -294.204171
where:
bonds (distance) C4'-P energy: -81.690
bonds (distance) P-C4' energy: -66.147
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -32.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -596.758193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.758193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.758193 (E_RNA)
where:
Base-Base interactions energy: -336.471
where: short stacking energy: -189.691
Base-Backbone interact. energy: 1.816
local terms energy: -262.103500
where:
bonds (distance) C4'-P energy: -84.011
bonds (distance) P-C4' energy: -79.552
flat angles C4'-P-C4' energy: -71.105
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1826.869108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.869108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.869108 (E_RNA)
where:
Base-Base interactions energy: -1304.440
where: short stacking energy: -527.713
Base-Backbone interact. energy: -0.955
local terms energy: -521.473502
where:
bonds (distance) C4'-P energy: -88.570
bonds (distance) P-C4' energy: -99.968
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -142.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1777.210349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.210349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.210349 (E_RNA)
where:
Base-Base interactions energy: -1222.012
where: short stacking energy: -540.471
Base-Backbone interact. energy: -2.131
local terms energy: -553.066965
where:
bonds (distance) C4'-P energy: -101.591
bonds (distance) P-C4' energy: -99.364
flat angles C4'-P-C4' energy: -112.626
flat angles P-C4'-P energy: -77.535
tors. eta vs tors. theta energy: -161.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1712.899282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.899282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.899282 (E_RNA)
where:
Base-Base interactions energy: -1179.224
where: short stacking energy: -515.883
Base-Backbone interact. energy: -1.954
local terms energy: -531.721320
where:
bonds (distance) C4'-P energy: -103.361
bonds (distance) P-C4' energy: -94.613
flat angles C4'-P-C4' energy: -117.053
flat angles P-C4'-P energy: -54.539
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: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1636.148511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.148511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.148511 (E_RNA)
where:
Base-Base interactions energy: -1135.888
where: short stacking energy: -467.552
Base-Backbone interact. energy: 0.516
local terms energy: -500.776317
where:
bonds (distance) C4'-P energy: -101.121
bonds (distance) P-C4' energy: -96.661
flat angles C4'-P-C4' energy: -104.607
flat angles P-C4'-P energy: -65.991
tors. eta vs tors. theta energy: -132.396
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: 326
Temperature: 1.100000
Total energy: -1380.792879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.792879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.792879 (E_RNA)
where:
Base-Base interactions energy: -905.865
where: short stacking energy: -396.828
Base-Backbone interact. energy: -2.148
local terms energy: -472.779455
where:
bonds (distance) C4'-P energy: -87.927
bonds (distance) P-C4' energy: -95.873
flat angles C4'-P-C4' energy: -107.747
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -111.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1376.308103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.308103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.308103 (E_RNA)
where:
Base-Base interactions energy: -949.407
where: short stacking energy: -402.811
Base-Backbone interact. energy: 0.418
local terms energy: -427.318978
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -88.306
flat angles C4'-P-C4' energy: -97.392
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -101.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1211.906798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.906798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.906798 (E_RNA)
where:
Base-Base interactions energy: -817.670
where: short stacking energy: -349.378
Base-Backbone interact. energy: -2.014
local terms energy: -392.222799
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -85.163
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -61.037
tors. eta vs tors. theta energy: -85.548
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1041.726777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.726777 (E_RNA)
where:
Base-Base interactions energy: -674.438
where: short stacking energy: -298.091
Base-Backbone interact. energy: -0.220
local terms energy: -367.068776
where:
bonds (distance) C4'-P energy: -89.284
bonds (distance) P-C4' energy: -86.676
flat angles C4'-P-C4' energy: -76.841
flat angles P-C4'-P energy: -59.795
tors. eta vs tors. theta energy: -54.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -747.794145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.794145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.794145 (E_RNA)
where:
Base-Base interactions energy: -433.382
where: short stacking energy: -210.145
Base-Backbone interact. energy: -0.336
local terms energy: -314.076290
where:
bonds (distance) C4'-P energy: -82.224
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -74.016
flat angles P-C4'-P energy: -41.942
tors. eta vs tors. theta energy: -30.673
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: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -599.780284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.780284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.780284 (E_RNA)
where:
Base-Base interactions energy: -322.921
where: short stacking energy: -177.588
Base-Backbone interact. energy: 1.975
local terms energy: -278.834287
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -79.284
flat angles P-C4'-P energy: -51.957
tors. eta vs tors. theta energy: 8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1821.879566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.879566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.879566 (E_RNA)
where:
Base-Base interactions energy: -1284.654
where: short stacking energy: -499.228
Base-Backbone interact. energy: -2.174
local terms energy: -535.051764
where:
bonds (distance) C4'-P energy: -100.459
bonds (distance) P-C4' energy: -98.520
flat angles C4'-P-C4' energy: -115.797
flat angles P-C4'-P energy: -78.034
tors. eta vs tors. theta energy: -142.242
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: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1769.146584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.146584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.146584 (E_RNA)
where:
Base-Base interactions energy: -1213.151
where: short stacking energy: -539.330
Base-Backbone interact. energy: 1.089
local terms energy: -557.084874
where:
bonds (distance) C4'-P energy: -96.567
bonds (distance) P-C4' energy: -102.340
flat angles C4'-P-C4' energy: -111.458
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -167.438
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1698.620848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.620848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.620848 (E_RNA)
where:
Base-Base interactions energy: -1153.513
where: short stacking energy: -508.077
Base-Backbone interact. energy: -4.331
local terms energy: -540.777033
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -99.133
flat angles C4'-P-C4' energy: -94.702
flat angles P-C4'-P energy: -81.183
tors. eta vs tors. theta energy: -160.930
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: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1621.523897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.523897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.523897 (E_RNA)
where:
Base-Base interactions energy: -1134.520
where: short stacking energy: -483.946
Base-Backbone interact. energy: 1.774
local terms energy: -488.777492
where:
bonds (distance) C4'-P energy: -98.556
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -65.318
tors. eta vs tors. theta energy: -140.893
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: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1402.138228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.138228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.138228 (E_RNA)
where:
Base-Base interactions energy: -957.998
where: short stacking energy: -420.958
Base-Backbone interact. energy: -3.100
local terms energy: -441.040292
where:
bonds (distance) C4'-P energy: -85.726
bonds (distance) P-C4' energy: -83.741
flat angles C4'-P-C4' energy: -96.057
flat angles P-C4'-P energy: -64.215
tors. eta vs tors. theta energy: -111.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1317.587390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.587390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.587390 (E_RNA)
where:
Base-Base interactions energy: -887.901
where: short stacking energy: -363.180
Base-Backbone interact. energy: -3.337
local terms energy: -426.349741
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -90.300
flat angles P-C4'-P energy: -70.454
tors. eta vs tors. theta energy: -93.321
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1225.211319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.211319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.211319 (E_RNA)
where:
Base-Base interactions energy: -824.418
where: short stacking energy: -339.925
Base-Backbone interact. energy: -1.692
local terms energy: -399.101171
where:
bonds (distance) C4'-P energy: -82.483
bonds (distance) P-C4' energy: -91.067
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -60.333
tors. eta vs tors. theta energy: -74.951
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: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1010.776746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.776746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.776746 (E_RNA)
where:
Base-Base interactions energy: -671.917
where: short stacking energy: -296.264
Base-Backbone interact. energy: -0.173
local terms energy: -338.686308
where:
bonds (distance) C4'-P energy: -72.596
bonds (distance) P-C4' energy: -73.988
flat angles C4'-P-C4' energy: -88.709
flat angles P-C4'-P energy: -53.537
tors. eta vs tors. theta energy: -49.857
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: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -772.768637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.768637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.768637 (E_RNA)
where:
Base-Base interactions energy: -462.987
where: short stacking energy: -223.239
Base-Backbone interact. energy: -0.309
local terms energy: -309.472545
where:
bonds (distance) C4'-P energy: -86.445
bonds (distance) P-C4' energy: -73.022
flat angles C4'-P-C4' energy: -74.650
flat angles P-C4'-P energy: -53.914
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -592.250196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.250196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.250196 (E_RNA)
where:
Base-Base interactions energy: -323.618
where: short stacking energy: -158.409
Base-Backbone interact. energy: 8.468
local terms energy: -277.100423
where:
bonds (distance) C4'-P energy: -78.447
bonds (distance) P-C4' energy: -76.966
flat angles C4'-P-C4' energy: -72.281
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: 6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1844.662534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.662534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.662534 (E_RNA)
where:
Base-Base interactions energy: -1320.756
where: short stacking energy: -513.586
Base-Backbone interact. energy: 0.623
local terms energy: -524.529359
where:
bonds (distance) C4'-P energy: -92.957
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -112.182
flat angles P-C4'-P energy: -81.997
tors. eta vs tors. theta energy: -144.535
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: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1792.695474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.695474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.695474 (E_RNA)
where:
Base-Base interactions energy: -1251.830
where: short stacking energy: -550.649
Base-Backbone interact. energy: 2.721
local terms energy: -543.586575
where:
bonds (distance) C4'-P energy: -103.008
bonds (distance) P-C4' energy: -97.506
flat angles C4'-P-C4' energy: -107.139
flat angles P-C4'-P energy: -75.099
tors. eta vs tors. theta energy: -160.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1701.331602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.331602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.331602 (E_RNA)
where:
Base-Base interactions energy: -1154.839
where: short stacking energy: -510.407
Base-Backbone interact. energy: -1.304
local terms energy: -545.188394
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -91.670
flat angles C4'-P-C4' energy: -113.896
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -168.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1635.759894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.759894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.759894 (E_RNA)
where:
Base-Base interactions energy: -1136.421
where: short stacking energy: -492.206
Base-Backbone interact. energy: -0.962
local terms energy: -498.377340
where:
bonds (distance) C4'-P energy: -89.778
bonds (distance) P-C4' energy: -91.912
flat angles C4'-P-C4' energy: -96.761
flat angles P-C4'-P energy: -72.114
tors. eta vs tors. theta energy: -147.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1419.624790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.624790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.624790 (E_RNA)
where:
Base-Base interactions energy: -967.394
where: short stacking energy: -424.784
Base-Backbone interact. energy: -2.257
local terms energy: -449.973858
where:
bonds (distance) C4'-P energy: -82.561
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -100.174
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -110.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1340.829685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.829685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.829685 (E_RNA)
where:
Base-Base interactions energy: -904.348
where: short stacking energy: -402.110
Base-Backbone interact. energy: -2.823
local terms energy: -433.659135
where:
bonds (distance) C4'-P energy: -82.024
bonds (distance) P-C4' energy: -89.957
flat angles C4'-P-C4' energy: -95.828
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -97.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1282.641379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.641379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.641379 (E_RNA)
where:
Base-Base interactions energy: -856.724
where: short stacking energy: -365.964
Base-Backbone interact. energy: -2.134
local terms energy: -423.783139
where:
bonds (distance) C4'-P energy: -90.283
bonds (distance) P-C4' energy: -74.197
flat angles C4'-P-C4' energy: -95.250
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -94.234
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: 328
Temperature: 1.250000
Total energy: -1024.711362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.711362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.711362 (E_RNA)
where:
Base-Base interactions energy: -659.475
where: short stacking energy: -297.317
Base-Backbone interact. energy: -2.019
local terms energy: -363.218094
where:
bonds (distance) C4'-P energy: -89.517
bonds (distance) P-C4' energy: -74.050
flat angles C4'-P-C4' energy: -80.605
flat angles P-C4'-P energy: -55.984
tors. eta vs tors. theta energy: -63.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -834.541252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.541252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.541252 (E_RNA)
where:
Base-Base interactions energy: -506.473
where: short stacking energy: -226.148
Base-Backbone interact. energy: -3.802
local terms energy: -324.266849
where:
bonds (distance) C4'-P energy: -88.794
bonds (distance) P-C4' energy: -84.841
flat angles C4'-P-C4' energy: -79.612
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -640.802446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.802446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.802446 (E_RNA)
where:
Base-Base interactions energy: -352.901
where: short stacking energy: -175.191
Base-Backbone interact. energy: -1.497
local terms energy: -286.404123
where:
bonds (distance) C4'-P energy: -76.393
bonds (distance) P-C4' energy: -78.976
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -16.139
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: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1857.883873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.883873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.883873 (E_RNA)
where:
Base-Base interactions energy: -1311.479
where: short stacking energy: -520.569
Base-Backbone interact. energy: -3.975
local terms energy: -542.429009
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -109.443
flat angles C4'-P-C4' energy: -108.005
flat angles P-C4'-P energy: -68.209
tors. eta vs tors. theta energy: -153.964
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: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1767.959698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.959698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.959698 (E_RNA)
where:
Base-Base interactions energy: -1235.925
where: short stacking energy: -552.457
Base-Backbone interact. energy: -1.591
local terms energy: -530.443745
where:
bonds (distance) C4'-P energy: -80.648
bonds (distance) P-C4' energy: -100.045
flat angles C4'-P-C4' energy: -108.225
flat angles P-C4'-P energy: -74.393
tors. eta vs tors. theta energy: -167.133
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: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1705.331076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.331076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.331076 (E_RNA)
where:
Base-Base interactions energy: -1156.257
where: short stacking energy: -537.441
Base-Backbone interact. energy: -0.737
local terms energy: -548.337062
where:
bonds (distance) C4'-P energy: -79.818
bonds (distance) P-C4' energy: -101.128
flat angles C4'-P-C4' energy: -119.249
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -168.388
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: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1615.235978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.235978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.235978 (E_RNA)
where:
Base-Base interactions energy: -1128.946
where: short stacking energy: -467.896
Base-Backbone interact. energy: -1.160
local terms energy: -485.130009
where:
bonds (distance) C4'-P energy: -86.188
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -99.048
flat angles P-C4'-P energy: -65.951
tors. eta vs tors. theta energy: -140.068
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: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1442.130527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.130527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.130527 (E_RNA)
where:
Base-Base interactions energy: -988.053
where: short stacking energy: -426.008
Base-Backbone interact. energy: 0.172
local terms energy: -454.249642
where:
bonds (distance) C4'-P energy: -94.004
bonds (distance) P-C4' energy: -82.658
flat angles C4'-P-C4' energy: -92.373
flat angles P-C4'-P energy: -73.700
tors. eta vs tors. theta energy: -111.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1353.837834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.837834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.837834 (E_RNA)
where:
Base-Base interactions energy: -922.149
where: short stacking energy: -402.946
Base-Backbone interact. energy: -1.257
local terms energy: -430.432319
where:
bonds (distance) C4'-P energy: -79.317
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -102.175
flat angles P-C4'-P energy: -67.823
tors. eta vs tors. theta energy: -100.502
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: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1282.846433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.846433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.846433 (E_RNA)
where:
Base-Base interactions energy: -841.938
where: short stacking energy: -365.499
Base-Backbone interact. energy: -2.502
local terms energy: -438.406830
where:
bonds (distance) C4'-P energy: -96.064
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -70.246
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: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1087.491619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.491619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.491619 (E_RNA)
where:
Base-Base interactions energy: -717.600
where: short stacking energy: -306.511
Base-Backbone interact. energy: 1.175
local terms energy: -371.066643
where:
bonds (distance) C4'-P energy: -68.839
bonds (distance) P-C4' energy: -90.932
flat angles C4'-P-C4' energy: -78.041
flat angles P-C4'-P energy: -57.040
tors. eta vs tors. theta energy: -76.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -790.286633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.286633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.286633 (E_RNA)
where:
Base-Base interactions energy: -484.046
where: short stacking energy: -225.420
Base-Backbone interact. energy: 0.719
local terms energy: -306.959530
where:
bonds (distance) C4'-P energy: -85.933
bonds (distance) P-C4' energy: -56.707
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -55.063
tors. eta vs tors. theta energy: -36.481
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: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -610.868311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.868311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.868311 (E_RNA)
where:
Base-Base interactions energy: -304.794
where: short stacking energy: -182.357
Base-Backbone interact. energy: -1.226
local terms energy: -304.848786
where:
bonds (distance) C4'-P energy: -92.248
bonds (distance) P-C4' energy: -92.678
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -4.722
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: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1842.472680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.472680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.472680 (E_RNA)
where:
Base-Base interactions energy: -1303.540
where: short stacking energy: -521.255
Base-Backbone interact. energy: -5.214
local terms energy: -533.719229
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -91.833
flat angles C4'-P-C4' energy: -117.408
flat angles P-C4'-P energy: -78.214
tors. eta vs tors. theta energy: -157.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1764.790086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.790086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.790086 (E_RNA)
where:
Base-Base interactions energy: -1227.803
where: short stacking energy: -539.073
Base-Backbone interact. energy: -0.935
local terms energy: -536.052880
where:
bonds (distance) C4'-P energy: -92.675
bonds (distance) P-C4' energy: -104.510
flat angles C4'-P-C4' energy: -107.231
flat angles P-C4'-P energy: -74.294
tors. eta vs tors. theta energy: -157.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1698.589197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.589197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.589197 (E_RNA)
where:
Base-Base interactions energy: -1148.133
where: short stacking energy: -522.038
Base-Backbone interact. energy: -0.447
local terms energy: -550.009198
where:
bonds (distance) C4'-P energy: -82.459
bonds (distance) P-C4' energy: -101.815
flat angles C4'-P-C4' energy: -113.066
flat angles P-C4'-P energy: -81.749
tors. eta vs tors. theta energy: -170.920
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: 330
Temperature: 1.050000
Total energy: -1602.470249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.470249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.470249 (E_RNA)
where:
Base-Base interactions energy: -1125.864
where: short stacking energy: -468.207
Base-Backbone interact. energy: -1.641
local terms energy: -474.965968
where:
bonds (distance) C4'-P energy: -87.763
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -99.952
flat angles P-C4'-P energy: -72.300
tors. eta vs tors. theta energy: -134.341
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: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1450.236810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.236810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.236810 (E_RNA)
where:
Base-Base interactions energy: -1004.325
where: short stacking energy: -429.216
Base-Backbone interact. energy: -2.549
local terms energy: -443.362079
where:
bonds (distance) C4'-P energy: -83.286
bonds (distance) P-C4' energy: -94.003
flat angles C4'-P-C4' energy: -96.044
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -116.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1365.837161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.837161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.837161 (E_RNA)
where:
Base-Base interactions energy: -930.378
where: short stacking energy: -423.153
Base-Backbone interact. energy: 0.203
local terms energy: -435.662363
where:
bonds (distance) C4'-P energy: -76.382
bonds (distance) P-C4' energy: -90.880
flat angles C4'-P-C4' energy: -96.809
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -113.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1279.569807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.569807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.569807 (E_RNA)
where:
Base-Base interactions energy: -869.251
where: short stacking energy: -374.292
Base-Backbone interact. energy: -1.700
local terms energy: -408.619278
where:
bonds (distance) C4'-P energy: -81.713
bonds (distance) P-C4' energy: -78.756
flat angles C4'-P-C4' energy: -89.633
flat angles P-C4'-P energy: -62.459
tors. eta vs tors. theta energy: -96.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1049.499304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.499304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.499304 (E_RNA)
where:
Base-Base interactions energy: -694.250
where: short stacking energy: -306.157
Base-Backbone interact. energy: -0.079
local terms energy: -355.170449
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -99.395
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -58.806
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: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -769.952250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.952250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.952250 (E_RNA)
where:
Base-Base interactions energy: -462.347
where: short stacking energy: -210.765
Base-Backbone interact. energy: -1.462
local terms energy: -306.143324
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -87.623
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -18.083
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: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -595.235409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.235409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.235409 (E_RNA)
where:
Base-Base interactions energy: -308.497
where: short stacking energy: -169.106
Base-Backbone interact. energy: 1.046
local terms energy: -287.784647
where:
bonds (distance) C4'-P energy: -82.410
bonds (distance) P-C4' energy: -95.000
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1836.943958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.943958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.943958 (E_RNA)
where:
Base-Base interactions energy: -1291.459
where: short stacking energy: -508.047
Base-Backbone interact. energy: -3.032
local terms energy: -542.453331
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -86.258
flat angles C4'-P-C4' energy: -122.204
flat angles P-C4'-P energy: -79.936
tors. eta vs tors. theta energy: -151.905
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: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1746.333562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.333562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.333562 (E_RNA)
where:
Base-Base interactions energy: -1217.810
where: short stacking energy: -547.019
Base-Backbone interact. energy: -0.513
local terms energy: -528.010303
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -115.020
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -162.862
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1686.882847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.882847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.882847 (E_RNA)
where:
Base-Base interactions energy: -1141.249
where: short stacking energy: -511.934
Base-Backbone interact. energy: -1.339
local terms energy: -544.294903
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -102.792
flat angles C4'-P-C4' energy: -110.274
flat angles P-C4'-P energy: -71.263
tors. eta vs tors. theta energy: -167.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1630.882920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.882920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.882920 (E_RNA)
where:
Base-Base interactions energy: -1146.056
where: short stacking energy: -475.280
Base-Backbone interact. energy: -2.810
local terms energy: -482.016577
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -86.649
flat angles C4'-P-C4' energy: -104.759
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -126.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1477.369386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.369386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.369386 (E_RNA)
where:
Base-Base interactions energy: -1017.526
where: short stacking energy: -430.009
Base-Backbone interact. energy: 0.363
local terms energy: -460.206558
where:
bonds (distance) C4'-P energy: -71.220
bonds (distance) P-C4' energy: -95.123
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -65.751
tors. eta vs tors. theta energy: -125.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1366.560399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.560399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.560399 (E_RNA)
where:
Base-Base interactions energy: -940.233
where: short stacking energy: -396.191
Base-Backbone interact. energy: -0.376
local terms energy: -425.951535
where:
bonds (distance) C4'-P energy: -77.020
bonds (distance) P-C4' energy: -90.797
flat angles C4'-P-C4' energy: -84.283
flat angles P-C4'-P energy: -68.841
tors. eta vs tors. theta energy: -105.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1317.254602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.254602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.254602 (E_RNA)
where:
Base-Base interactions energy: -893.849
where: short stacking energy: -374.929
Base-Backbone interact. energy: 1.014
local terms energy: -424.419891
where:
bonds (distance) C4'-P energy: -87.639
bonds (distance) P-C4' energy: -73.301
flat angles C4'-P-C4' energy: -96.672
flat angles P-C4'-P energy: -61.832
tors. eta vs tors. theta energy: -104.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1100.388058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.388058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.388058 (E_RNA)
where:
Base-Base interactions energy: -689.441
where: short stacking energy: -314.899
Base-Backbone interact. energy: -1.531
local terms energy: -409.415901
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -90.594
flat angles C4'-P-C4' energy: -93.332
flat angles P-C4'-P energy: -61.901
tors. eta vs tors. theta energy: -75.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -797.593930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.593930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.593930 (E_RNA)
where:
Base-Base interactions energy: -467.236
where: short stacking energy: -232.342
Base-Backbone interact. energy: -0.381
local terms energy: -329.976944
where:
bonds (distance) C4'-P energy: -84.898
bonds (distance) P-C4' energy: -89.977
flat angles C4'-P-C4' energy: -73.876
flat angles P-C4'-P energy: -57.505
tors. eta vs tors. theta energy: -23.721
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: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -614.799049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.799049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.799049 (E_RNA)
where:
Base-Base interactions energy: -317.901
where: short stacking energy: -200.613
Base-Backbone interact. energy: -0.057
local terms energy: -296.841291
where:
bonds (distance) C4'-P energy: -61.827
bonds (distance) P-C4' energy: -82.586
flat angles C4'-P-C4' energy: -83.974
flat angles P-C4'-P energy: -55.702
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: 332
Temperature: 0.900000
Total energy: -1821.790790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.790790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.790790 (E_RNA)
where:
Base-Base interactions energy: -1307.353
where: short stacking energy: -507.991
Base-Backbone interact. energy: -0.915
local terms energy: -513.523032
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -106.357
flat angles P-C4'-P energy: -64.760
tors. eta vs tors. theta energy: -148.750
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: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1754.773199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.773199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.773199 (E_RNA)
where:
Base-Base interactions energy: -1231.063
where: short stacking energy: -539.295
Base-Backbone interact. energy: -2.170
local terms energy: -521.540393
where:
bonds (distance) C4'-P energy: -84.309
bonds (distance) P-C4' energy: -92.861
flat angles C4'-P-C4' energy: -108.084
flat angles P-C4'-P energy: -74.426
tors. eta vs tors. theta energy: -161.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1708.004858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.004858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.004858 (E_RNA)
where:
Base-Base interactions energy: -1169.277
where: short stacking energy: -503.248
Base-Backbone interact. energy: -5.416
local terms energy: -533.311956
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -101.586
flat angles C4'-P-C4' energy: -117.431
flat angles P-C4'-P energy: -69.999
tors. eta vs tors. theta energy: -158.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1608.674664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.674664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.674664 (E_RNA)
where:
Base-Base interactions energy: -1150.313
where: short stacking energy: -482.117
Base-Backbone interact. energy: -0.095
local terms energy: -458.266618
where:
bonds (distance) C4'-P energy: -89.211
bonds (distance) P-C4' energy: -82.414
flat angles C4'-P-C4' energy: -88.612
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -134.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1455.175698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.175698 (E_RNA)
where:
Base-Base interactions energy: -997.311
where: short stacking energy: -418.495
Base-Backbone interact. energy: -1.456
local terms energy: -456.408568
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -96.051
flat angles C4'-P-C4' energy: -102.397
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -107.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1293.210274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.210274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.210274 (E_RNA)
where:
Base-Base interactions energy: -871.919
where: short stacking energy: -372.147
Base-Backbone interact. energy: 0.906
local terms energy: -422.197693
where:
bonds (distance) C4'-P energy: -84.642
bonds (distance) P-C4' energy: -80.023
flat angles C4'-P-C4' energy: -101.424
flat angles P-C4'-P energy: -66.065
tors. eta vs tors. theta energy: -90.044
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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1282.941110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.941110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.941110 (E_RNA)
where:
Base-Base interactions energy: -851.351
where: short stacking energy: -378.797
Base-Backbone interact. energy: -2.559
local terms energy: -429.031001
where:
bonds (distance) C4'-P energy: -94.901
bonds (distance) P-C4' energy: -76.994
flat angles C4'-P-C4' energy: -103.204
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: -98.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1071.494933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.494933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.494933 (E_RNA)
where:
Base-Base interactions energy: -706.848
where: short stacking energy: -299.466
Base-Backbone interact. energy: -1.205
local terms energy: -363.441720
where:
bonds (distance) C4'-P energy: -97.463
bonds (distance) P-C4' energy: -82.002
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -49.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -623.569882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.569882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.569882 (E_RNA)
where:
Base-Base interactions energy: -347.511
where: short stacking energy: -190.004
Base-Backbone interact. energy: 3.150
local terms energy: -279.208900
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -71.852
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -14.586
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -737.392237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.392237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.392237 (E_RNA)
where:
Base-Base interactions energy: -455.730
where: short stacking energy: -223.236
Base-Backbone interact. energy: -0.136
local terms energy: -281.526339
where:
bonds (distance) C4'-P energy: -63.017
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -81.145
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -20.263
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: 333
Temperature: 0.900000
Total energy: -1807.570478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.570478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.570478 (E_RNA)
where:
Base-Base interactions energy: -1276.109
where: short stacking energy: -485.489
Base-Backbone interact. energy: -1.103
local terms energy: -530.358048
where:
bonds (distance) C4'-P energy: -91.415
bonds (distance) P-C4' energy: -110.479
flat angles C4'-P-C4' energy: -111.113
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -135.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1755.669032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.669032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.669032 (E_RNA)
where:
Base-Base interactions energy: -1216.035
where: short stacking energy: -527.600
Base-Backbone interact. energy: 0.261
local terms energy: -539.895564
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -103.956
flat angles C4'-P-C4' energy: -106.989
flat angles P-C4'-P energy: -70.139
tors. eta vs tors. theta energy: -157.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1679.480613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.480613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.480613 (E_RNA)
where:
Base-Base interactions energy: -1147.860
where: short stacking energy: -507.872
Base-Backbone interact. energy: 1.321
local terms energy: -532.941921
where:
bonds (distance) C4'-P energy: -88.736
bonds (distance) P-C4' energy: -98.803
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -160.954
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1623.685667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.685667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.685667 (E_RNA)
where:
Base-Base interactions energy: -1141.385
where: short stacking energy: -463.708
Base-Backbone interact. energy: 1.446
local terms energy: -483.747018
where:
bonds (distance) C4'-P energy: -89.868
bonds (distance) P-C4' energy: -92.646
flat angles C4'-P-C4' energy: -87.331
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -134.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1485.064432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.064432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.064432 (E_RNA)
where:
Base-Base interactions energy: -1048.410
where: short stacking energy: -433.358
Base-Backbone interact. energy: -0.019
local terms energy: -436.635038
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -92.869
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -58.885
tors. eta vs tors. theta energy: -112.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1303.538074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.538074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.538074 (E_RNA)
where:
Base-Base interactions energy: -895.502
where: short stacking energy: -375.209
Base-Backbone interact. energy: 1.557
local terms energy: -409.593642
where:
bonds (distance) C4'-P energy: -72.123
bonds (distance) P-C4' energy: -82.737
flat angles C4'-P-C4' energy: -102.043
flat angles P-C4'-P energy: -56.518
tors. eta vs tors. theta energy: -96.171
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1164.905999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.905999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.905999 (E_RNA)
where:
Base-Base interactions energy: -802.603
where: short stacking energy: -332.657
Base-Backbone interact. energy: -2.917
local terms energy: -359.386011
where:
bonds (distance) C4'-P energy: -75.332
bonds (distance) P-C4' energy: -92.243
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -70.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1078.857120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.857120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.857120 (E_RNA)
where:
Base-Base interactions energy: -699.560
where: short stacking energy: -305.351
Base-Backbone interact. energy: -0.563
local terms energy: -378.734231
where:
bonds (distance) C4'-P energy: -85.394
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -87.265
flat angles P-C4'-P energy: -52.779
tors. eta vs tors. theta energy: -76.005
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -644.029030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.029030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.029030 (E_RNA)
where:
Base-Base interactions energy: -342.841
where: short stacking energy: -181.912
Base-Backbone interact. energy: -1.483
local terms energy: -299.704746
where:
bonds (distance) C4'-P energy: -74.833
bonds (distance) P-C4' energy: -91.842
flat angles C4'-P-C4' energy: -83.384
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: -15.469
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -733.929053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.929053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.929053 (E_RNA)
where:
Base-Base interactions energy: -451.313
where: short stacking energy: -212.950
Base-Backbone interact. energy: -1.950
local terms energy: -280.665139
where:
bonds (distance) C4'-P energy: -72.468
bonds (distance) P-C4' energy: -73.305
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -19.925
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1780.956815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.956815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.956815 (E_RNA)
where:
Base-Base interactions energy: -1255.472
where: short stacking energy: -494.421
Base-Backbone interact. energy: -1.543
local terms energy: -523.942260
where:
bonds (distance) C4'-P energy: -97.324
bonds (distance) P-C4' energy: -102.363
flat angles C4'-P-C4' energy: -108.117
flat angles P-C4'-P energy: -79.042
tors. eta vs tors. theta energy: -137.096
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: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1742.646424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.646424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.646424 (E_RNA)
where:
Base-Base interactions energy: -1221.561
where: short stacking energy: -524.479
Base-Backbone interact. energy: 0.820
local terms energy: -521.905292
where:
bonds (distance) C4'-P energy: -86.534
bonds (distance) P-C4' energy: -105.950
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -142.679
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: 334
Temperature: 1.000000
Total energy: -1646.754661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.754661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.754661 (E_RNA)
where:
Base-Base interactions energy: -1170.380
where: short stacking energy: -463.289
Base-Backbone interact. energy: -1.659
local terms energy: -474.714783
where:
bonds (distance) C4'-P energy: -81.774
bonds (distance) P-C4' energy: -85.711
flat angles C4'-P-C4' energy: -108.575
flat angles P-C4'-P energy: -74.050
tors. eta vs tors. theta energy: -124.605
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1671.889922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.889922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.889922 (E_RNA)
where:
Base-Base interactions energy: -1138.559
where: short stacking energy: -475.912
Base-Backbone interact. energy: -2.039
local terms energy: -531.291462
where:
bonds (distance) C4'-P energy: -97.348
bonds (distance) P-C4' energy: -98.167
flat angles C4'-P-C4' energy: -112.235
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -160.561
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: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1522.530100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.530100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.530100 (E_RNA)
where:
Base-Base interactions energy: -1073.032
where: short stacking energy: -443.920
Base-Backbone interact. energy: -1.167
local terms energy: -448.331082
where:
bonds (distance) C4'-P energy: -73.918
bonds (distance) P-C4' energy: -88.688
flat angles C4'-P-C4' energy: -94.015
flat angles P-C4'-P energy: -67.814
tors. eta vs tors. theta energy: -123.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1341.291108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.291108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.291108 (E_RNA)
where:
Base-Base interactions energy: -898.556
where: short stacking energy: -391.589
Base-Backbone interact. energy: -0.788
local terms energy: -441.947120
where:
bonds (distance) C4'-P energy: -77.204
bonds (distance) P-C4' energy: -104.806
flat angles C4'-P-C4' energy: -104.848
flat angles P-C4'-P energy: -53.905
tors. eta vs tors. theta energy: -101.184
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: 334
Temperature: 1.200000
Total energy: -1162.253816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.253816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.253816 (E_RNA)
where:
Base-Base interactions energy: -757.914
where: short stacking energy: -305.590
Base-Backbone interact. energy: -1.874
local terms energy: -402.465109
where:
bonds (distance) C4'-P energy: -92.016
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -92.060
flat angles P-C4'-P energy: -59.738
tors. eta vs tors. theta energy: -67.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1138.080389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.080389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.080389 (E_RNA)
where:
Base-Base interactions energy: -768.490
where: short stacking energy: -309.893
Base-Backbone interact. energy: -3.292
local terms energy: -366.298469
where:
bonds (distance) C4'-P energy: -64.375
bonds (distance) P-C4' energy: -83.155
flat angles C4'-P-C4' energy: -98.386
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -69.659
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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -773.654442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.654442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.654442 (E_RNA)
where:
Base-Base interactions energy: -463.266
where: short stacking energy: -210.417
Base-Backbone interact. energy: -1.790
local terms energy: -308.598822
where:
bonds (distance) C4'-P energy: -90.409
bonds (distance) P-C4' energy: -82.928
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -579.478188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.478188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.478188 (E_RNA)
where:
Base-Base interactions energy: -305.417
where: short stacking energy: -150.862
Base-Backbone interact. energy: 0.199
local terms energy: -274.259533
where:
bonds (distance) C4'-P energy: -87.257
bonds (distance) P-C4' energy: -77.894
flat angles C4'-P-C4' energy: -68.456
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: 2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1803.768139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.768139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.768139 (E_RNA)
where:
Base-Base interactions energy: -1280.518
where: short stacking energy: -509.911
Base-Backbone interact. energy: -3.231
local terms energy: -520.019379
where:
bonds (distance) C4'-P energy: -79.398
bonds (distance) P-C4' energy: -99.438
flat angles C4'-P-C4' energy: -111.371
flat angles P-C4'-P energy: -79.984
tors. eta vs tors. theta energy: -149.827
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: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1754.679631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.679631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.679631 (E_RNA)
where:
Base-Base interactions energy: -1222.700
where: short stacking energy: -537.096
Base-Backbone interact. energy: 0.265
local terms energy: -532.244224
where:
bonds (distance) C4'-P energy: -95.715
bonds (distance) P-C4' energy: -99.776
flat angles C4'-P-C4' energy: -115.598
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -155.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1664.596360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.596360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.596360 (E_RNA)
where:
Base-Base interactions energy: -1183.689
where: short stacking energy: -473.732
Base-Backbone interact. energy: 0.250
local terms energy: -481.157396
where:
bonds (distance) C4'-P energy: -91.963
bonds (distance) P-C4' energy: -90.623
flat angles C4'-P-C4' energy: -100.131
flat angles P-C4'-P energy: -70.806
tors. eta vs tors. theta energy: -127.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1670.728578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.728578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.728578 (E_RNA)
where:
Base-Base interactions energy: -1142.277
where: short stacking energy: -494.998
Base-Backbone interact. energy: -2.183
local terms energy: -526.269261
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -121.930
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -155.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1525.721444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.721444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.721444 (E_RNA)
where:
Base-Base interactions energy: -1063.795
where: short stacking energy: -445.244
Base-Backbone interact. energy: 0.179
local terms energy: -462.105382
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -89.021
flat angles C4'-P-C4' energy: -94.936
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -115.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1304.239650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.239650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.239650 (E_RNA)
where:
Base-Base interactions energy: -862.402
where: short stacking energy: -386.571
Base-Backbone interact. energy: 0.077
local terms energy: -441.914241
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -95.487
flat angles C4'-P-C4' energy: -99.189
flat angles P-C4'-P energy: -66.758
tors. eta vs tors. theta energy: -97.967
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1157.618793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.618793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.618793 (E_RNA)
where:
Base-Base interactions energy: -766.982
where: short stacking energy: -320.776
Base-Backbone interact. energy: -1.498
local terms energy: -389.139401
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -93.958
flat angles C4'-P-C4' energy: -84.444
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -80.286
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: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1168.770384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.770384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.770384 (E_RNA)
where:
Base-Base interactions energy: -803.925
where: short stacking energy: -341.460
Base-Backbone interact. energy: 6.501
local terms energy: -371.346966
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -86.950
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -75.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -851.534129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.534129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.534129 (E_RNA)
where:
Base-Base interactions energy: -517.774
where: short stacking energy: -253.488
Base-Backbone interact. energy: -1.358
local terms energy: -332.402490
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -92.057
flat angles C4'-P-C4' energy: -86.697
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -42.996
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: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -606.460999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.460999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.460999 (E_RNA)
where:
Base-Base interactions energy: -345.801
where: short stacking energy: -182.310
Base-Backbone interact. energy: 6.520
local terms energy: -267.179161
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -77.665
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -16.484
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: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1795.654524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.654524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.654524 (E_RNA)
where:
Base-Base interactions energy: -1291.296
where: short stacking energy: -504.965
Base-Backbone interact. energy: -3.096
local terms energy: -501.262549
where:
bonds (distance) C4'-P energy: -86.933
bonds (distance) P-C4' energy: -80.653
flat angles C4'-P-C4' energy: -112.199
flat angles P-C4'-P energy: -74.828
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: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1759.637715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.637715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.637715 (E_RNA)
where:
Base-Base interactions energy: -1225.475
where: short stacking energy: -504.849
Base-Backbone interact. energy: -2.259
local terms energy: -531.903065
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -89.985
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -83.801
tors. eta vs tors. theta energy: -157.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1679.228068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.228068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.228068 (E_RNA)
where:
Base-Base interactions energy: -1142.705
where: short stacking energy: -521.815
Base-Backbone interact. energy: -3.616
local terms energy: -532.906517
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -90.124
flat angles C4'-P-C4' energy: -104.059
flat angles P-C4'-P energy: -71.332
tors. eta vs tors. theta energy: -168.757
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1637.131678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.131678 (E_RNA)
where:
Base-Base interactions energy: -1155.788
where: short stacking energy: -451.746
Base-Backbone interact. energy: -1.900
local terms energy: -479.443708
where:
bonds (distance) C4'-P energy: -77.288
bonds (distance) P-C4' energy: -101.383
flat angles C4'-P-C4' energy: -114.333
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -131.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1502.918083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.918083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.918083 (E_RNA)
where:
Base-Base interactions energy: -1041.045
where: short stacking energy: -454.001
Base-Backbone interact. energy: -1.786
local terms energy: -460.087049
where:
bonds (distance) C4'-P energy: -78.665
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -132.252
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: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1372.769618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.769618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.769618 (E_RNA)
where:
Base-Base interactions energy: -923.687
where: short stacking energy: -422.198
Base-Backbone interact. energy: 2.084
local terms energy: -451.167095
where:
bonds (distance) C4'-P energy: -94.752
bonds (distance) P-C4' energy: -87.051
flat angles C4'-P-C4' energy: -100.624
flat angles P-C4'-P energy: -50.779
tors. eta vs tors. theta energy: -117.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1186.588067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.588067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.588067 (E_RNA)
where:
Base-Base interactions energy: -818.273
where: short stacking energy: -332.136
Base-Backbone interact. energy: -0.719
local terms energy: -367.597004
where:
bonds (distance) C4'-P energy: -76.216
bonds (distance) P-C4' energy: -78.203
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -51.779
tors. eta vs tors. theta energy: -84.433
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: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1162.654780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.654780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.654780 (E_RNA)
where:
Base-Base interactions energy: -773.985
where: short stacking energy: -326.733
Base-Backbone interact. energy: -0.931
local terms energy: -387.738593
where:
bonds (distance) C4'-P energy: -81.721
bonds (distance) P-C4' energy: -81.978
flat angles C4'-P-C4' energy: -96.851
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -59.594
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: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -857.437111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.437111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.437111 (E_RNA)
where:
Base-Base interactions energy: -520.322
where: short stacking energy: -244.393
Base-Backbone interact. energy: -2.951
local terms energy: -334.164230
where:
bonds (distance) C4'-P energy: -81.828
bonds (distance) P-C4' energy: -81.686
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: -37.523
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -605.140330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.140330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.140330 (E_RNA)
where:
Base-Base interactions energy: -291.124
where: short stacking energy: -161.035
Base-Backbone interact. energy: 1.054
local terms energy: -315.070407
where:
bonds (distance) C4'-P energy: -100.723
bonds (distance) P-C4' energy: -86.544
flat angles C4'-P-C4' energy: -72.764
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1810.512898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.512898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.512898 (E_RNA)
where:
Base-Base interactions energy: -1281.516
where: short stacking energy: -488.803
Base-Backbone interact. energy: 3.176
local terms energy: -532.172586
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -100.008
flat angles C4'-P-C4' energy: -109.232
flat angles P-C4'-P energy: -73.805
tors. eta vs tors. theta energy: -144.879
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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1750.274008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.274008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.274008 (E_RNA)
where:
Base-Base interactions energy: -1214.185
where: short stacking energy: -541.427
Base-Backbone interact. energy: -0.974
local terms energy: -535.114912
where:
bonds (distance) C4'-P energy: -85.361
bonds (distance) P-C4' energy: -89.331
flat angles C4'-P-C4' energy: -123.954
flat angles P-C4'-P energy: -73.621
tors. eta vs tors. theta energy: -162.847
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: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1687.373743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.373743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.373743 (E_RNA)
where:
Base-Base interactions energy: -1161.089
where: short stacking energy: -490.851
Base-Backbone interact. energy: -2.945
local terms energy: -523.339310
where:
bonds (distance) C4'-P energy: -93.533
bonds (distance) P-C4' energy: -99.591
flat angles C4'-P-C4' energy: -106.502
flat angles P-C4'-P energy: -71.109
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: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1614.596157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.596157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.596157 (E_RNA)
where:
Base-Base interactions energy: -1133.859
where: short stacking energy: -444.009
Base-Backbone interact. energy: -0.978
local terms energy: -479.759441
where:
bonds (distance) C4'-P energy: -93.052
bonds (distance) P-C4' energy: -86.756
flat angles C4'-P-C4' energy: -97.189
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -124.616
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: 337
Temperature: 1.100000
Total energy: -1510.167218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.167218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.167218 (E_RNA)
where:
Base-Base interactions energy: -1043.836
where: short stacking energy: -441.490
Base-Backbone interact. energy: -2.318
local terms energy: -464.012780
where:
bonds (distance) C4'-P energy: -86.051
bonds (distance) P-C4' energy: -84.886
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -66.665
tors. eta vs tors. theta energy: -129.546
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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1346.278747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.278747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.278747 (E_RNA)
where:
Base-Base interactions energy: -920.688
where: short stacking energy: -401.049
Base-Backbone interact. energy: -1.836
local terms energy: -423.754584
where:
bonds (distance) C4'-P energy: -86.528
bonds (distance) P-C4' energy: -92.703
flat angles C4'-P-C4' energy: -80.412
flat angles P-C4'-P energy: -57.749
tors. eta vs tors. theta energy: -106.363
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1186.709913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.709913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.709913 (E_RNA)
where:
Base-Base interactions energy: -805.931
where: short stacking energy: -344.589
Base-Backbone interact. energy: -2.405
local terms energy: -378.373229
where:
bonds (distance) C4'-P energy: -74.872
bonds (distance) P-C4' energy: -76.860
flat angles C4'-P-C4' energy: -89.968
flat angles P-C4'-P energy: -48.864
tors. eta vs tors. theta energy: -87.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1246.890926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.890926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.890926 (E_RNA)
where:
Base-Base interactions energy: -845.237
where: short stacking energy: -367.990
Base-Backbone interact. energy: 0.603
local terms energy: -402.256982
where:
bonds (distance) C4'-P energy: -91.120
bonds (distance) P-C4' energy: -89.579
flat angles C4'-P-C4' energy: -83.806
flat angles P-C4'-P energy: -53.282
tors. eta vs tors. theta energy: -84.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -831.324438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.324438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.324438 (E_RNA)
where:
Base-Base interactions energy: -510.130
where: short stacking energy: -237.820
Base-Backbone interact. energy: -2.027
local terms energy: -319.168332
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -81.895
flat angles C4'-P-C4' energy: -84.241
flat angles P-C4'-P energy: -60.015
tors. eta vs tors. theta energy: -33.010
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: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -584.558398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.558398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.558398 (E_RNA)
where:
Base-Base interactions energy: -314.403
where: short stacking energy: -180.556
Base-Backbone interact. energy: -1.578
local terms energy: -268.577502
where:
bonds (distance) C4'-P energy: -84.573
bonds (distance) P-C4' energy: -64.764
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -37.324
tors. eta vs tors. theta energy: -5.322
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: 338
Temperature: 0.900000
Total energy: -1821.540296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.540296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.540296 (E_RNA)
where:
Base-Base interactions energy: -1274.626
where: short stacking energy: -499.746
Base-Backbone interact. energy: 0.213
local terms energy: -547.126666
where:
bonds (distance) C4'-P energy: -98.559
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -114.563
flat angles P-C4'-P energy: -79.066
tors. eta vs tors. theta energy: -145.098
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: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1770.235676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.235676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.235676 (E_RNA)
where:
Base-Base interactions energy: -1214.157
where: short stacking energy: -534.525
Base-Backbone interact. energy: 3.637
local terms energy: -559.715125
where:
bonds (distance) C4'-P energy: -101.676
bonds (distance) P-C4' energy: -108.054
flat angles C4'-P-C4' energy: -107.867
flat angles P-C4'-P energy: -77.244
tors. eta vs tors. theta energy: -164.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1698.650297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.650297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.650297 (E_RNA)
where:
Base-Base interactions energy: -1161.372
where: short stacking energy: -487.911
Base-Backbone interact. energy: 1.275
local terms energy: -538.553223
where:
bonds (distance) C4'-P energy: -98.556
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -111.202
flat angles P-C4'-P energy: -82.072
tors. eta vs tors. theta energy: -153.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1656.401890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.401890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.401890 (E_RNA)
where:
Base-Base interactions energy: -1153.485
where: short stacking energy: -476.089
Base-Backbone interact. energy: 1.946
local terms energy: -504.862820
where:
bonds (distance) C4'-P energy: -99.755
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -106.928
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -141.822
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1545.996420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.996420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.996420 (E_RNA)
where:
Base-Base interactions energy: -1065.367
where: short stacking energy: -458.755
Base-Backbone interact. energy: 7.185
local terms energy: -487.814479
where:
bonds (distance) C4'-P energy: -92.593
bonds (distance) P-C4' energy: -89.009
flat angles C4'-P-C4' energy: -106.895
flat angles P-C4'-P energy: -67.123
tors. eta vs tors. theta energy: -132.195
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1343.601587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.601587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.601587 (E_RNA)
where:
Base-Base interactions energy: -898.864
where: short stacking energy: -406.676
Base-Backbone interact. energy: -1.658
local terms energy: -443.079550
where:
bonds (distance) C4'-P energy: -90.529
bonds (distance) P-C4' energy: -92.947
flat angles C4'-P-C4' energy: -98.862
flat angles P-C4'-P energy: -59.702
tors. eta vs tors. theta energy: -101.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1251.606304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.606304 (E_RNA)
where:
Base-Base interactions energy: -854.261
where: short stacking energy: -362.684
Base-Backbone interact. energy: -2.036
local terms energy: -395.309888
where:
bonds (distance) C4'-P energy: -87.591
bonds (distance) P-C4' energy: -71.538
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -49.595
tors. eta vs tors. theta energy: -92.249
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: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1181.237503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.237503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.237503 (E_RNA)
where:
Base-Base interactions energy: -801.638
where: short stacking energy: -349.018
Base-Backbone interact. energy: -1.101
local terms energy: -378.498490
where:
bonds (distance) C4'-P energy: -88.831
bonds (distance) P-C4' energy: -76.806
flat angles C4'-P-C4' energy: -92.166
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -83.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -839.732553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.732553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.732553 (E_RNA)
where:
Base-Base interactions energy: -515.364
where: short stacking energy: -231.837
Base-Backbone interact. energy: -0.813
local terms energy: -323.554962
where:
bonds (distance) C4'-P energy: -68.344
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -80.859
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -31.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -563.351281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.351281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.351281 (E_RNA)
where:
Base-Base interactions energy: -294.810
where: short stacking energy: -160.817
Base-Backbone interact. energy: 1.988
local terms energy: -270.529374
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -71.938
flat angles C4'-P-C4' energy: -87.347
flat angles P-C4'-P energy: -44.656
tors. eta vs tors. theta energy: 15.691
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: 339
Temperature: 0.900000
Total energy: -1813.974469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.974469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.974469 (E_RNA)
where:
Base-Base interactions energy: -1273.226
where: short stacking energy: -517.252
Base-Backbone interact. energy: -5.183
local terms energy: -535.566235
where:
bonds (distance) C4'-P energy: -98.572
bonds (distance) P-C4' energy: -103.551
flat angles C4'-P-C4' energy: -118.712
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -148.473
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: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1774.745597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.745597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.745597 (E_RNA)
where:
Base-Base interactions energy: -1237.734
where: short stacking energy: -535.208
Base-Backbone interact. energy: -1.460
local terms energy: -535.551337
where:
bonds (distance) C4'-P energy: -103.405
bonds (distance) P-C4' energy: -96.005
flat angles C4'-P-C4' energy: -100.757
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -161.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1711.738378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.738378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.738378 (E_RNA)
where:
Base-Base interactions energy: -1149.452
where: short stacking energy: -520.425
Base-Backbone interact. energy: -2.323
local terms energy: -559.963039
where:
bonds (distance) C4'-P energy: -102.330
bonds (distance) P-C4' energy: -95.807
flat angles C4'-P-C4' energy: -109.708
flat angles P-C4'-P energy: -78.661
tors. eta vs tors. theta energy: -173.457
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1661.910303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.910303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.910303 (E_RNA)
where:
Base-Base interactions energy: -1173.709
where: short stacking energy: -475.295
Base-Backbone interact. energy: -1.837
local terms energy: -486.363892
where:
bonds (distance) C4'-P energy: -98.236
bonds (distance) P-C4' energy: -89.223
flat angles C4'-P-C4' energy: -95.603
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -135.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1478.870021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.870021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.870021 (E_RNA)
where:
Base-Base interactions energy: -1007.578
where: short stacking energy: -410.700
Base-Backbone interact. energy: 0.213
local terms energy: -471.504953
where:
bonds (distance) C4'-P energy: -84.996
bonds (distance) P-C4' energy: -92.658
flat angles C4'-P-C4' energy: -97.912
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -128.959
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1290.908078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.908078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.908078 (E_RNA)
where:
Base-Base interactions energy: -863.881
where: short stacking energy: -363.547
Base-Backbone interact. energy: -3.107
local terms energy: -423.920243
where:
bonds (distance) C4'-P energy: -84.371
bonds (distance) P-C4' energy: -85.032
flat angles C4'-P-C4' energy: -89.685
flat angles P-C4'-P energy: -71.323
tors. eta vs tors. theta energy: -93.509
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: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1260.163407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.163407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.163407 (E_RNA)
where:
Base-Base interactions energy: -846.004
where: short stacking energy: -369.293
Base-Backbone interact. energy: 1.094
local terms energy: -415.253672
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -77.749
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -59.570
tors. eta vs tors. theta energy: -104.257
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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1183.097585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.097585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.097585 (E_RNA)
where:
Base-Base interactions energy: -787.431
where: short stacking energy: -331.163
Base-Backbone interact. energy: -3.251
local terms energy: -392.414703
where:
bonds (distance) C4'-P energy: -74.940
bonds (distance) P-C4' energy: -85.582
flat angles C4'-P-C4' energy: -93.384
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -81.058
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: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -779.100506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.100506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.100506 (E_RNA)
where:
Base-Base interactions energy: -469.189
where: short stacking energy: -216.952
Base-Backbone interact. energy: -6.137
local terms energy: -303.774140
where:
bonds (distance) C4'-P energy: -84.800
bonds (distance) P-C4' energy: -75.127
flat angles C4'-P-C4' energy: -88.665
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -16.654
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: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -559.256804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.256804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.256804 (E_RNA)
where:
Base-Base interactions energy: -274.549
where: short stacking energy: -149.227
Base-Backbone interact. energy: 1.379
local terms energy: -286.086569
where:
bonds (distance) C4'-P energy: -67.201
bonds (distance) P-C4' energy: -92.518
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -65.994
tors. eta vs tors. theta energy: 11.706
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: 340
Temperature: 0.900000
Total energy: -1814.337227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.337227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.337227 (E_RNA)
where:
Base-Base interactions energy: -1279.491
where: short stacking energy: -509.321
Base-Backbone interact. energy: -1.984
local terms energy: -532.862548
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -103.130
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -74.521
tors. eta vs tors. theta energy: -142.327
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: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1781.089131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.089131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.089131 (E_RNA)
where:
Base-Base interactions energy: -1247.537
where: short stacking energy: -533.257
Base-Backbone interact. energy: -1.515
local terms energy: -532.037491
where:
bonds (distance) C4'-P energy: -78.550
bonds (distance) P-C4' energy: -101.834
flat angles C4'-P-C4' energy: -112.465
flat angles P-C4'-P energy: -73.096
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: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1688.166904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.166904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.166904 (E_RNA)
where:
Base-Base interactions energy: -1153.569
where: short stacking energy: -530.127
Base-Backbone interact. energy: -3.465
local terms energy: -531.132576
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -170.974
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: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1633.655633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.655633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.655633 (E_RNA)
where:
Base-Base interactions energy: -1134.259
where: short stacking energy: -460.055
Base-Backbone interact. energy: -1.085
local terms energy: -498.311095
where:
bonds (distance) C4'-P energy: -90.019
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -111.444
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -139.963
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: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1494.453276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.453276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.453276 (E_RNA)
where:
Base-Base interactions energy: -1017.367
where: short stacking energy: -392.429
Base-Backbone interact. energy: -1.726
local terms energy: -475.361023
where:
bonds (distance) C4'-P energy: -93.772
bonds (distance) P-C4' energy: -95.811
flat angles C4'-P-C4' energy: -99.322
flat angles P-C4'-P energy: -77.015
tors. eta vs tors. theta energy: -109.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1285.498895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.498895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.498895 (E_RNA)
where:
Base-Base interactions energy: -840.960
where: short stacking energy: -378.892
Base-Backbone interact. energy: -1.187
local terms energy: -443.351516
where:
bonds (distance) C4'-P energy: -89.047
bonds (distance) P-C4' energy: -108.859
flat angles C4'-P-C4' energy: -99.522
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -95.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1254.043534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.043534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.043534 (E_RNA)
where:
Base-Base interactions energy: -853.042
where: short stacking energy: -371.113
Base-Backbone interact. energy: 1.053
local terms energy: -402.054297
where:
bonds (distance) C4'-P energy: -72.600
bonds (distance) P-C4' energy: -88.327
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -95.257
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1187.940822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.940822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.940822 (E_RNA)
where:
Base-Base interactions energy: -808.920
where: short stacking energy: -341.188
Base-Backbone interact. energy: -0.710
local terms energy: -378.311006
where:
bonds (distance) C4'-P energy: -76.963
bonds (distance) P-C4' energy: -88.780
flat angles C4'-P-C4' energy: -74.677
flat angles P-C4'-P energy: -62.447
tors. eta vs tors. theta energy: -75.445
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -791.597562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.597562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.597562 (E_RNA)
where:
Base-Base interactions energy: -475.072
where: short stacking energy: -238.919
Base-Backbone interact. energy: 1.474
local terms energy: -317.999284
where:
bonds (distance) C4'-P energy: -73.802
bonds (distance) P-C4' energy: -82.205
flat angles C4'-P-C4' energy: -92.470
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: -31.756
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: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -574.095086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.095086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.095086 (E_RNA)
where:
Base-Base interactions energy: -313.505
where: short stacking energy: -193.274
Base-Backbone interact. energy: -2.005
local terms energy: -258.585971
where:
bonds (distance) C4'-P energy: -73.709
bonds (distance) P-C4' energy: -65.149
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1815.416958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.416958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.416958 (E_RNA)
where:
Base-Base interactions energy: -1294.527
where: short stacking energy: -526.963
Base-Backbone interact. energy: 0.229
local terms energy: -521.118723
where:
bonds (distance) C4'-P energy: -90.533
bonds (distance) P-C4' energy: -96.399
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -76.241
tors. eta vs tors. theta energy: -145.275
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: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1785.017727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.017727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.017727 (E_RNA)
where:
Base-Base interactions energy: -1236.874
where: short stacking energy: -532.922
Base-Backbone interact. energy: -2.057
local terms energy: -546.086326
where:
bonds (distance) C4'-P energy: -88.536
bonds (distance) P-C4' energy: -91.662
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -72.045
tors. eta vs tors. theta energy: -174.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1728.099494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.099494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.099494 (E_RNA)
where:
Base-Base interactions energy: -1207.849
where: short stacking energy: -503.706
Base-Backbone interact. energy: -1.425
local terms energy: -518.825378
where:
bonds (distance) C4'-P energy: -91.215
bonds (distance) P-C4' energy: -95.485
flat angles C4'-P-C4' energy: -108.457
flat angles P-C4'-P energy: -67.843
tors. eta vs tors. theta energy: -155.824
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1638.538506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.538506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.538506 (E_RNA)
where:
Base-Base interactions energy: -1167.298
where: short stacking energy: -456.225
Base-Backbone interact. energy: -2.706
local terms energy: -468.534531
where:
bonds (distance) C4'-P energy: -85.111
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -104.657
flat angles P-C4'-P energy: -52.360
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1510.821680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.821680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.821680 (E_RNA)
where:
Base-Base interactions energy: -1043.437
where: short stacking energy: -433.005
Base-Backbone interact. energy: 1.130
local terms energy: -468.514864
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -96.711
flat angles C4'-P-C4' energy: -105.700
flat angles P-C4'-P energy: -77.550
tors. eta vs tors. theta energy: -117.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1315.115669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.115669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.115669 (E_RNA)
where:
Base-Base interactions energy: -892.636
where: short stacking energy: -378.025
Base-Backbone interact. energy: -1.494
local terms energy: -420.985006
where:
bonds (distance) C4'-P energy: -85.490
bonds (distance) P-C4' energy: -89.566
flat angles C4'-P-C4' energy: -81.716
flat angles P-C4'-P energy: -60.705
tors. eta vs tors. theta energy: -103.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1225.693668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.693668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.693668 (E_RNA)
where:
Base-Base interactions energy: -811.290
where: short stacking energy: -340.889
Base-Backbone interact. energy: -1.439
local terms energy: -412.964316
where:
bonds (distance) C4'-P energy: -74.584
bonds (distance) P-C4' energy: -82.373
flat angles C4'-P-C4' energy: -96.569
flat angles P-C4'-P energy: -67.174
tors. eta vs tors. theta energy: -92.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1141.414812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.414812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.414812 (E_RNA)
where:
Base-Base interactions energy: -747.617
where: short stacking energy: -316.046
Base-Backbone interact. energy: -1.742
local terms energy: -392.055869
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -82.825
flat angles P-C4'-P energy: -69.947
tors. eta vs tors. theta energy: -76.129
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -787.235202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.235202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.235202 (E_RNA)
where:
Base-Base interactions energy: -469.381
where: short stacking energy: -228.167
Base-Backbone interact. energy: -1.459
local terms energy: -316.395852
where:
bonds (distance) C4'-P energy: -95.631
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -32.020
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: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -584.586797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.586797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.586797 (E_RNA)
where:
Base-Base interactions energy: -298.524
where: short stacking energy: -187.760
Base-Backbone interact. energy: -1.711
local terms energy: -284.351669
where:
bonds (distance) C4'-P energy: -71.328
bonds (distance) P-C4' energy: -79.068
flat angles C4'-P-C4' energy: -76.695
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1822.744698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.744698 (E_RNA)
where:
Base-Base interactions energy: -1260.741
where: short stacking energy: -518.365
Base-Backbone interact. energy: -1.494
local terms energy: -560.510553
where:
bonds (distance) C4'-P energy: -110.415
bonds (distance) P-C4' energy: -111.442
flat angles C4'-P-C4' energy: -116.092
flat angles P-C4'-P energy: -75.527
tors. eta vs tors. theta energy: -147.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1732.645701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.645701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.645701 (E_RNA)
where:
Base-Base interactions energy: -1174.022
where: short stacking energy: -507.927
Base-Backbone interact. energy: -2.204
local terms energy: -556.419852
where:
bonds (distance) C4'-P energy: -99.433
bonds (distance) P-C4' energy: -91.687
flat angles C4'-P-C4' energy: -109.841
flat angles P-C4'-P energy: -90.911
tors. eta vs tors. theta energy: -164.548
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: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1720.740766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.740766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.740766 (E_RNA)
where:
Base-Base interactions energy: -1223.117
where: short stacking energy: -534.070
Base-Backbone interact. energy: 1.390
local terms energy: -499.014653
where:
bonds (distance) C4'-P energy: -79.641
bonds (distance) P-C4' energy: -87.000
flat angles C4'-P-C4' energy: -102.363
flat angles P-C4'-P energy: -66.629
tors. eta vs tors. theta energy: -163.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1625.001586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.001586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.001586 (E_RNA)
where:
Base-Base interactions energy: -1145.116
where: short stacking energy: -457.407
Base-Backbone interact. energy: 0.256
local terms energy: -480.142102
where:
bonds (distance) C4'-P energy: -98.267
bonds (distance) P-C4' energy: -87.397
flat angles C4'-P-C4' energy: -96.519
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -129.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1534.696670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.696670 (E_RNA)
where:
Base-Base interactions energy: -1064.834
where: short stacking energy: -438.503
Base-Backbone interact. energy: -2.235
local terms energy: -467.627765
where:
bonds (distance) C4'-P energy: -86.696
bonds (distance) P-C4' energy: -82.597
flat angles C4'-P-C4' energy: -101.009
flat angles P-C4'-P energy: -72.041
tors. eta vs tors. theta energy: -125.285
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: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1292.893432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.893432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.893432 (E_RNA)
where:
Base-Base interactions energy: -880.173
where: short stacking energy: -388.141
Base-Backbone interact. energy: 1.175
local terms energy: -413.894998
where:
bonds (distance) C4'-P energy: -71.178
bonds (distance) P-C4' energy: -78.139
flat angles C4'-P-C4' energy: -92.829
flat angles P-C4'-P energy: -64.660
tors. eta vs tors. theta energy: -107.089
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: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1215.671752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.671752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.671752 (E_RNA)
where:
Base-Base interactions energy: -809.884
where: short stacking energy: -368.167
Base-Backbone interact. energy: -2.621
local terms energy: -403.166225
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -77.091
flat angles C4'-P-C4' energy: -95.381
flat angles P-C4'-P energy: -58.435
tors. eta vs tors. theta energy: -87.957
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: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1106.970450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.970450 (E_RNA)
where:
Base-Base interactions energy: -738.048
where: short stacking energy: -335.579
Base-Backbone interact. energy: 0.738
local terms energy: -369.660461
where:
bonds (distance) C4'-P energy: -80.691
bonds (distance) P-C4' energy: -82.579
flat angles C4'-P-C4' energy: -92.489
flat angles P-C4'-P energy: -37.397
tors. eta vs tors. theta energy: -76.504
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: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -797.038178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.038178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.038178 (E_RNA)
where:
Base-Base interactions energy: -471.677
where: short stacking energy: -228.773
Base-Backbone interact. energy: 2.742
local terms energy: -328.103349
where:
bonds (distance) C4'-P energy: -74.693
bonds (distance) P-C4' energy: -98.915
flat angles C4'-P-C4' energy: -71.973
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -35.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -597.295591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.295591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.295591 (E_RNA)
where:
Base-Base interactions energy: -309.726
where: short stacking energy: -172.779
Base-Backbone interact. energy: -2.262
local terms energy: -285.307143
where:
bonds (distance) C4'-P energy: -82.503
bonds (distance) P-C4' energy: -86.334
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -14.712
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: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1833.804038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.804038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.804038 (E_RNA)
where:
Base-Base interactions energy: -1290.168
where: short stacking energy: -510.590
Base-Backbone interact. energy: -0.811
local terms energy: -542.825413
where:
bonds (distance) C4'-P energy: -107.866
bonds (distance) P-C4' energy: -95.107
flat angles C4'-P-C4' energy: -114.058
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -151.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1741.285879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.285879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.285879 (E_RNA)
where:
Base-Base interactions energy: -1175.046
where: short stacking energy: -518.560
Base-Backbone interact. energy: -1.466
local terms energy: -564.773828
where:
bonds (distance) C4'-P energy: -99.922
bonds (distance) P-C4' energy: -103.797
flat angles C4'-P-C4' energy: -113.993
flat angles P-C4'-P energy: -81.150
tors. eta vs tors. theta energy: -165.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1760.030576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.030576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.030576 (E_RNA)
where:
Base-Base interactions energy: -1217.700
where: short stacking energy: -531.163
Base-Backbone interact. energy: -0.984
local terms energy: -541.346244
where:
bonds (distance) C4'-P energy: -106.685
bonds (distance) P-C4' energy: -88.567
flat angles C4'-P-C4' energy: -112.959
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -159.552
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: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1627.652202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.652202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.652202 (E_RNA)
where:
Base-Base interactions energy: -1122.916
where: short stacking energy: -473.004
Base-Backbone interact. energy: -2.694
local terms energy: -502.042009
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -102.263
flat angles P-C4'-P energy: -73.082
tors. eta vs tors. theta energy: -137.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1487.386537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.386537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.386537 (E_RNA)
where:
Base-Base interactions energy: -1047.926
where: short stacking energy: -424.246
Base-Backbone interact. energy: -2.042
local terms energy: -437.419041
where:
bonds (distance) C4'-P energy: -74.580
bonds (distance) P-C4' energy: -77.791
flat angles C4'-P-C4' energy: -104.707
flat angles P-C4'-P energy: -60.869
tors. eta vs tors. theta energy: -119.472
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: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1285.849412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.849412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.849412 (E_RNA)
where:
Base-Base interactions energy: -872.429
where: short stacking energy: -388.050
Base-Backbone interact. energy: 2.265
local terms energy: -415.684850
where:
bonds (distance) C4'-P energy: -88.113
bonds (distance) P-C4' energy: -83.256
flat angles C4'-P-C4' energy: -103.248
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: -88.728
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1212.164383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.164383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.164383 (E_RNA)
where:
Base-Base interactions energy: -814.746
where: short stacking energy: -388.242
Base-Backbone interact. energy: -0.407
local terms energy: -397.012089
where:
bonds (distance) C4'-P energy: -67.194
bonds (distance) P-C4' energy: -88.175
flat angles C4'-P-C4' energy: -88.081
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -89.552
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: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1159.775627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.775627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.775627 (E_RNA)
where:
Base-Base interactions energy: -770.474
where: short stacking energy: -329.746
Base-Backbone interact. energy: -2.225
local terms energy: -387.076629
where:
bonds (distance) C4'-P energy: -73.018
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -90.815
flat angles P-C4'-P energy: -63.825
tors. eta vs tors. theta energy: -80.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -789.601614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.601614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.601614 (E_RNA)
where:
Base-Base interactions energy: -482.751
where: short stacking energy: -226.981
Base-Backbone interact. energy: -1.039
local terms energy: -305.811238
where:
bonds (distance) C4'-P energy: -85.731
bonds (distance) P-C4' energy: -81.991
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -42.263
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: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -571.962098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.962098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.962098 (E_RNA)
where:
Base-Base interactions energy: -310.779
where: short stacking energy: -169.912
Base-Backbone interact. energy: -2.136
local terms energy: -259.046654
where:
bonds (distance) C4'-P energy: -60.463
bonds (distance) P-C4' energy: -71.990
flat angles C4'-P-C4' energy: -76.414
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1826.285779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.285779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.285779 (E_RNA)
where:
Base-Base interactions energy: -1293.157
where: short stacking energy: -501.701
Base-Backbone interact. energy: -2.787
local terms energy: -530.342040
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -108.399
flat angles C4'-P-C4' energy: -108.046
flat angles P-C4'-P energy: -76.880
tors. eta vs tors. theta energy: -146.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1751.638625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.638625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.638625 (E_RNA)
where:
Base-Base interactions energy: -1201.706
where: short stacking energy: -531.375
Base-Backbone interact. energy: -1.737
local terms energy: -548.195407
where:
bonds (distance) C4'-P energy: -106.957
bonds (distance) P-C4' energy: -84.050
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -77.462
tors. eta vs tors. theta energy: -167.037
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: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1730.056177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.056177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.056177 (E_RNA)
where:
Base-Base interactions energy: -1192.021
where: short stacking energy: -527.557
Base-Backbone interact. energy: -0.684
local terms energy: -537.351238
where:
bonds (distance) C4'-P energy: -93.881
bonds (distance) P-C4' energy: -98.070
flat angles C4'-P-C4' energy: -111.402
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -158.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1623.692418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.692418 (E_RNA)
where:
Base-Base interactions energy: -1136.679
where: short stacking energy: -479.717
Base-Backbone interact. energy: -1.560
local terms energy: -485.453686
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -95.016
flat angles C4'-P-C4' energy: -94.025
flat angles P-C4'-P energy: -60.882
tors. eta vs tors. theta energy: -141.901
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: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1498.148811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.148811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.148811 (E_RNA)
where:
Base-Base interactions energy: -1043.063
where: short stacking energy: -465.367
Base-Backbone interact. energy: 2.302
local terms energy: -457.388668
where:
bonds (distance) C4'-P energy: -80.859
bonds (distance) P-C4' energy: -90.713
flat angles C4'-P-C4' energy: -101.543
flat angles P-C4'-P energy: -65.120
tors. eta vs tors. theta energy: -119.153
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: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1302.458779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.458779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.458779 (E_RNA)
where:
Base-Base interactions energy: -855.060
where: short stacking energy: -381.081
Base-Backbone interact. energy: 1.938
local terms energy: -449.336838
where:
bonds (distance) C4'-P energy: -81.568
bonds (distance) P-C4' energy: -105.407
flat angles C4'-P-C4' energy: -91.144
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: -102.060
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1282.272628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.272628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.272628 (E_RNA)
where:
Base-Base interactions energy: -882.945
where: short stacking energy: -392.923
Base-Backbone interact. energy: -1.029
local terms energy: -398.298945
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -96.519
flat angles C4'-P-C4' energy: -83.230
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -92.125
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: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1119.960945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.960945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.960945 (E_RNA)
where:
Base-Base interactions energy: -724.580
where: short stacking energy: -321.196
Base-Backbone interact. energy: -2.244
local terms energy: -393.137234
where:
bonds (distance) C4'-P energy: -68.954
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -96.572
flat angles P-C4'-P energy: -63.556
tors. eta vs tors. theta energy: -78.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -803.272981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.272981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.272981 (E_RNA)
where:
Base-Base interactions energy: -471.314
where: short stacking energy: -242.226
Base-Backbone interact. energy: 5.614
local terms energy: -337.573042
where:
bonds (distance) C4'-P energy: -85.176
bonds (distance) P-C4' energy: -80.312
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -61.575
tors. eta vs tors. theta energy: -42.959
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -602.725562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.725562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.725562 (E_RNA)
where:
Base-Base interactions energy: -352.742
where: short stacking energy: -207.037
Base-Backbone interact. energy: -0.491
local terms energy: -249.492819
where:
bonds (distance) C4'-P energy: -62.321
bonds (distance) P-C4' energy: -87.452
flat angles C4'-P-C4' energy: -66.466
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -11.510
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: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1802.397053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.397053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.397053 (E_RNA)
where:
Base-Base interactions energy: -1275.478
where: short stacking energy: -507.100
Base-Backbone interact. energy: -4.519
local terms energy: -522.400806
where:
bonds (distance) C4'-P energy: -90.504
bonds (distance) P-C4' energy: -97.291
flat angles C4'-P-C4' energy: -108.505
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -146.295
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: 345
Temperature: 0.950000
Total energy: -1730.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.767793 (E_RNA)
where:
Base-Base interactions energy: -1189.107
where: short stacking energy: -528.578
Base-Backbone interact. energy: -1.501
local terms energy: -540.160423
where:
bonds (distance) C4'-P energy: -91.675
bonds (distance) P-C4' energy: -88.737
flat angles C4'-P-C4' energy: -115.318
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -167.594
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: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1705.524442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.524442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.524442 (E_RNA)
where:
Base-Base interactions energy: -1196.000
where: short stacking energy: -505.785
Base-Backbone interact. energy: 2.303
local terms energy: -511.827539
where:
bonds (distance) C4'-P energy: -86.635
bonds (distance) P-C4' energy: -93.440
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -71.153
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: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1648.232535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.232535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.232535 (E_RNA)
where:
Base-Base interactions energy: -1177.274
where: short stacking energy: -486.348
Base-Backbone interact. energy: 2.941
local terms energy: -473.899595
where:
bonds (distance) C4'-P energy: -87.890
bonds (distance) P-C4' energy: -84.195
flat angles C4'-P-C4' energy: -101.055
flat angles P-C4'-P energy: -62.598
tors. eta vs tors. theta energy: -138.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1537.225435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.225435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.225435 (E_RNA)
where:
Base-Base interactions energy: -1048.926
where: short stacking energy: -457.064
Base-Backbone interact. energy: -0.451
local terms energy: -487.848290
where:
bonds (distance) C4'-P energy: -91.543
bonds (distance) P-C4' energy: -90.613
flat angles C4'-P-C4' energy: -108.949
flat angles P-C4'-P energy: -65.638
tors. eta vs tors. theta energy: -131.105
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: 345
Temperature: 1.150000
Total energy: -1344.185246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.185246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.185246 (E_RNA)
where:
Base-Base interactions energy: -909.265
where: short stacking energy: -398.121
Base-Backbone interact. energy: -1.074
local terms energy: -433.846267
where:
bonds (distance) C4'-P energy: -84.740
bonds (distance) P-C4' energy: -86.765
flat angles C4'-P-C4' energy: -90.486
flat angles P-C4'-P energy: -69.730
tors. eta vs tors. theta energy: -102.126
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: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1233.400552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.400552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.400552 (E_RNA)
where:
Base-Base interactions energy: -835.516
where: short stacking energy: -358.479
Base-Backbone interact. energy: 1.458
local terms energy: -399.342494
where:
bonds (distance) C4'-P energy: -83.056
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -67.959
tors. eta vs tors. theta energy: -82.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1096.011033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.011033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.011033 (E_RNA)
where:
Base-Base interactions energy: -698.551
where: short stacking energy: -318.005
Base-Backbone interact. energy: -1.659
local terms energy: -395.801123
where:
bonds (distance) C4'-P energy: -82.670
bonds (distance) P-C4' energy: -89.908
flat angles C4'-P-C4' energy: -85.488
flat angles P-C4'-P energy: -65.662
tors. eta vs tors. theta energy: -72.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -822.857100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.857100 (E_RNA)
where:
Base-Base interactions energy: -502.173
where: short stacking energy: -241.289
Base-Backbone interact. energy: -1.636
local terms energy: -319.048429
where:
bonds (distance) C4'-P energy: -74.213
bonds (distance) P-C4' energy: -85.576
flat angles C4'-P-C4' energy: -73.493
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -38.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -626.337496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.337496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.337496 (E_RNA)
where:
Base-Base interactions energy: -315.744
where: short stacking energy: -175.515
Base-Backbone interact. energy: 3.764
local terms energy: -314.356992
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -91.614
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -15.944
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: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1827.796835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.796835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.796835 (E_RNA)
where:
Base-Base interactions energy: -1291.425
where: short stacking energy: -500.051
Base-Backbone interact. energy: -2.453
local terms energy: -533.919011
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -108.424
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -148.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1735.115910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.115910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.115910 (E_RNA)
where:
Base-Base interactions energy: -1184.346
where: short stacking energy: -524.354
Base-Backbone interact. energy: -2.299
local terms energy: -548.470876
where:
bonds (distance) C4'-P energy: -92.669
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -79.902
tors. eta vs tors. theta energy: -166.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1687.077769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.077769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.077769 (E_RNA)
where:
Base-Base interactions energy: -1184.243
where: short stacking energy: -521.269
Base-Backbone interact. energy: -2.448
local terms energy: -500.386611
where:
bonds (distance) C4'-P energy: -88.378
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -110.368
flat angles P-C4'-P energy: -67.840
tors. eta vs tors. theta energy: -147.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1652.934018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.934018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.934018 (E_RNA)
where:
Base-Base interactions energy: -1156.810
where: short stacking energy: -467.986
Base-Backbone interact. energy: 0.986
local terms energy: -497.110294
where:
bonds (distance) C4'-P energy: -97.618
bonds (distance) P-C4' energy: -88.146
flat angles C4'-P-C4' energy: -113.922
flat angles P-C4'-P energy: -62.537
tors. eta vs tors. theta energy: -134.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1498.547796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.547796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.547796 (E_RNA)
where:
Base-Base interactions energy: -1030.107
where: short stacking energy: -436.829
Base-Backbone interact. energy: -0.236
local terms energy: -468.204724
where:
bonds (distance) C4'-P energy: -81.217
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -107.464
flat angles P-C4'-P energy: -64.229
tors. eta vs tors. theta energy: -121.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1284.315793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.315793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.315793 (E_RNA)
where:
Base-Base interactions energy: -849.612
where: short stacking energy: -372.245
Base-Backbone interact. energy: -1.276
local terms energy: -433.427052
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -88.540
flat angles C4'-P-C4' energy: -103.699
flat angles P-C4'-P energy: -63.155
tors. eta vs tors. theta energy: -94.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1211.355245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.355245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.355245 (E_RNA)
where:
Base-Base interactions energy: -803.156
where: short stacking energy: -354.655
Base-Backbone interact. energy: -0.183
local terms energy: -408.016563
where:
bonds (distance) C4'-P energy: -70.160
bonds (distance) P-C4' energy: -88.200
flat angles C4'-P-C4' energy: -96.646
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -92.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1032.427427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.427427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.427427 (E_RNA)
where:
Base-Base interactions energy: -666.801
where: short stacking energy: -284.800
Base-Backbone interact. energy: -0.567
local terms energy: -365.059838
where:
bonds (distance) C4'-P energy: -81.111
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -56.132
tors. eta vs tors. theta energy: -54.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -793.664844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.664844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.664844 (E_RNA)
where:
Base-Base interactions energy: -471.126
where: short stacking energy: -230.220
Base-Backbone interact. energy: -1.399
local terms energy: -321.139438
where:
bonds (distance) C4'-P energy: -75.043
bonds (distance) P-C4' energy: -88.118
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -43.012
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: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -616.614537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.614537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.614537 (E_RNA)
where:
Base-Base interactions energy: -321.637
where: short stacking energy: -171.210
Base-Backbone interact. energy: -1.595
local terms energy: -293.381767
where:
bonds (distance) C4'-P energy: -83.059
bonds (distance) P-C4' energy: -79.472
flat angles C4'-P-C4' energy: -81.710
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -9.753
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: 347
Temperature: 0.900000
Total energy: -1805.232438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.232438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.232438 (E_RNA)
where:
Base-Base interactions energy: -1295.732
where: short stacking energy: -506.115
Base-Backbone interact. energy: -0.580
local terms energy: -508.920479
where:
bonds (distance) C4'-P energy: -90.427
bonds (distance) P-C4' energy: -91.453
flat angles C4'-P-C4' energy: -101.067
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -147.544
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: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1733.910334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.910334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.910334 (E_RNA)
where:
Base-Base interactions energy: -1193.312
where: short stacking energy: -517.394
Base-Backbone interact. energy: 0.576
local terms energy: -541.174908
where:
bonds (distance) C4'-P energy: -93.369
bonds (distance) P-C4' energy: -94.467
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -76.311
tors. eta vs tors. theta energy: -163.235
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: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1673.787612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.787612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.787612 (E_RNA)
where:
Base-Base interactions energy: -1159.302
where: short stacking energy: -502.457
Base-Backbone interact. energy: -2.726
local terms energy: -511.759968
where:
bonds (distance) C4'-P energy: -78.863
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -104.138
flat angles P-C4'-P energy: -77.194
tors. eta vs tors. theta energy: -143.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1545.977826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.977826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.977826 (E_RNA)
where:
Base-Base interactions energy: -1071.625
where: short stacking energy: -453.451
Base-Backbone interact. energy: -1.763
local terms energy: -472.589728
where:
bonds (distance) C4'-P energy: -77.407
bonds (distance) P-C4' energy: -93.902
flat angles C4'-P-C4' energy: -98.118
flat angles P-C4'-P energy: -71.588
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: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1560.136870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.136870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.136870 (E_RNA)
where:
Base-Base interactions energy: -1070.935
where: short stacking energy: -447.176
Base-Backbone interact. energy: -1.628
local terms energy: -487.573192
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -82.118
flat angles C4'-P-C4' energy: -106.835
flat angles P-C4'-P energy: -76.673
tors. eta vs tors. theta energy: -124.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1284.491744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.491744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.491744 (E_RNA)
where:
Base-Base interactions energy: -869.557
where: short stacking energy: -384.637
Base-Backbone interact. energy: -2.505
local terms energy: -412.429376
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -82.049
flat angles C4'-P-C4' energy: -89.047
flat angles P-C4'-P energy: -66.600
tors. eta vs tors. theta energy: -93.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1225.320677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.320677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.320677 (E_RNA)
where:
Base-Base interactions energy: -847.099
where: short stacking energy: -359.423
Base-Backbone interact. energy: 2.335
local terms energy: -380.556878
where:
bonds (distance) C4'-P energy: -80.273
bonds (distance) P-C4' energy: -82.879
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -53.113
tors. eta vs tors. theta energy: -80.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1029.936528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.936528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.936528 (E_RNA)
where:
Base-Base interactions energy: -667.099
where: short stacking energy: -284.101
Base-Backbone interact. energy: 1.745
local terms energy: -364.582453
where:
bonds (distance) C4'-P energy: -96.416
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -78.369
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -59.024
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: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -779.296691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.296691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.296691 (E_RNA)
where:
Base-Base interactions energy: -459.309
where: short stacking energy: -196.550
Base-Backbone interact. energy: -1.493
local terms energy: -318.494329
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -79.532
flat angles C4'-P-C4' energy: -84.353
flat angles P-C4'-P energy: -60.025
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -596.749610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.749610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.749610 (E_RNA)
where:
Base-Base interactions energy: -327.927
where: short stacking energy: -173.380
Base-Backbone interact. energy: 2.055
local terms energy: -270.877603
where:
bonds (distance) C4'-P energy: -80.449
bonds (distance) P-C4' energy: -76.028
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1818.959247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.959247 (E_RNA)
where:
Base-Base interactions energy: -1295.217
where: short stacking energy: -509.359
Base-Backbone interact. energy: -1.266
local terms energy: -522.476484
where:
bonds (distance) C4'-P energy: -91.915
bonds (distance) P-C4' energy: -99.460
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -74.793
tors. eta vs tors. theta energy: -144.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1724.477583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.477583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.477583 (E_RNA)
where:
Base-Base interactions energy: -1185.722
where: short stacking energy: -518.683
Base-Backbone interact. energy: -2.629
local terms energy: -536.127091
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -103.529
flat angles P-C4'-P energy: -77.580
tors. eta vs tors. theta energy: -163.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1684.933682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.933682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.933682 (E_RNA)
where:
Base-Base interactions energy: -1168.842
where: short stacking energy: -493.427
Base-Backbone interact. energy: -0.928
local terms energy: -515.163817
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -102.874
flat angles C4'-P-C4' energy: -107.477
flat angles P-C4'-P energy: -60.275
tors. eta vs tors. theta energy: -150.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1585.577471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.577471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.577471 (E_RNA)
where:
Base-Base interactions energy: -1103.619
where: short stacking energy: -471.417
Base-Backbone interact. energy: -2.853
local terms energy: -479.105858
where:
bonds (distance) C4'-P energy: -87.208
bonds (distance) P-C4' energy: -82.925
flat angles C4'-P-C4' energy: -108.791
flat angles P-C4'-P energy: -70.769
tors. eta vs tors. theta energy: -129.413
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: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1617.376575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.376575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.376575 (E_RNA)
where:
Base-Base interactions energy: -1138.223
where: short stacking energy: -469.121
Base-Backbone interact. energy: -1.746
local terms energy: -477.407962
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -94.807
flat angles C4'-P-C4' energy: -89.131
flat angles P-C4'-P energy: -75.234
tors. eta vs tors. theta energy: -134.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1248.909485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.909485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.909485 (E_RNA)
where:
Base-Base interactions energy: -819.674
where: short stacking energy: -369.683
Base-Backbone interact. energy: -0.656
local terms energy: -428.579946
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -82.690
flat angles C4'-P-C4' energy: -97.723
flat angles P-C4'-P energy: -65.121
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1219.234931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.234931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.234931 (E_RNA)
where:
Base-Base interactions energy: -819.670
where: short stacking energy: -362.837
Base-Backbone interact. energy: -0.926
local terms energy: -398.639503
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -93.527
flat angles C4'-P-C4' energy: -96.075
flat angles P-C4'-P energy: -59.067
tors. eta vs tors. theta energy: -81.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1014.213666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.213666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.213666 (E_RNA)
where:
Base-Base interactions energy: -670.853
where: short stacking energy: -321.462
Base-Backbone interact. energy: -1.447
local terms energy: -341.913328
where:
bonds (distance) C4'-P energy: -78.469
bonds (distance) P-C4' energy: -82.535
flat angles C4'-P-C4' energy: -91.512
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -48.007
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: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -815.359986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.359986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.359986 (E_RNA)
where:
Base-Base interactions energy: -498.018
where: short stacking energy: -233.430
Base-Backbone interact. energy: -1.797
local terms energy: -315.544897
where:
bonds (distance) C4'-P energy: -81.668
bonds (distance) P-C4' energy: -81.748
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -593.483435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.483435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.483435 (E_RNA)
where:
Base-Base interactions energy: -304.489
where: short stacking energy: -150.925
Base-Backbone interact. energy: 1.574
local terms energy: -290.568125
where:
bonds (distance) C4'-P energy: -94.871
bonds (distance) P-C4' energy: -73.368
flat angles C4'-P-C4' energy: -79.038
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1816.513443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.513443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.513443 (E_RNA)
where:
Base-Base interactions energy: -1295.916
where: short stacking energy: -515.034
Base-Backbone interact. energy: -0.386
local terms energy: -520.210821
where:
bonds (distance) C4'-P energy: -85.177
bonds (distance) P-C4' energy: -92.177
flat angles C4'-P-C4' energy: -115.978
flat angles P-C4'-P energy: -78.617
tors. eta vs tors. theta energy: -148.262
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: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1732.421721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.421721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.421721 (E_RNA)
where:
Base-Base interactions energy: -1187.305
where: short stacking energy: -518.100
Base-Backbone interact. energy: -3.125
local terms energy: -541.991378
where:
bonds (distance) C4'-P energy: -93.636
bonds (distance) P-C4' energy: -94.327
flat angles C4'-P-C4' energy: -118.940
flat angles P-C4'-P energy: -76.236
tors. eta vs tors. theta energy: -158.853
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1691.137080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.137080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.137080 (E_RNA)
where:
Base-Base interactions energy: -1192.020
where: short stacking energy: -498.794
Base-Backbone interact. energy: 0.548
local terms energy: -499.665059
where:
bonds (distance) C4'-P energy: -80.745
bonds (distance) P-C4' energy: -95.354
flat angles C4'-P-C4' energy: -107.214
flat angles P-C4'-P energy: -65.657
tors. eta vs tors. theta energy: -150.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1665.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.018173 (E_RNA)
where:
Base-Base interactions energy: -1166.136
where: short stacking energy: -478.041
Base-Backbone interact. energy: -0.108
local terms energy: -498.774790
where:
bonds (distance) C4'-P energy: -87.284
bonds (distance) P-C4' energy: -88.410
flat angles C4'-P-C4' energy: -102.191
flat angles P-C4'-P energy: -75.382
tors. eta vs tors. theta energy: -145.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1517.599511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.599511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.599511 (E_RNA)
where:
Base-Base interactions energy: -1037.255
where: short stacking energy: -444.304
Base-Backbone interact. energy: -1.528
local terms energy: -478.816605
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -102.569
flat angles P-C4'-P energy: -69.980
tors. eta vs tors. theta energy: -125.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1270.815391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.815391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.815391 (E_RNA)
where:
Base-Base interactions energy: -850.087
where: short stacking energy: -354.577
Base-Backbone interact. energy: -0.268
local terms energy: -420.461180
where:
bonds (distance) C4'-P energy: -71.171
bonds (distance) P-C4' energy: -91.631
flat angles C4'-P-C4' energy: -99.168
flat angles P-C4'-P energy: -61.365
tors. eta vs tors. theta energy: -97.126
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: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1225.446985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.446985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.446985 (E_RNA)
where:
Base-Base interactions energy: -806.365
where: short stacking energy: -358.354
Base-Backbone interact. energy: 2.771
local terms energy: -421.853625
where:
bonds (distance) C4'-P energy: -96.582
bonds (distance) P-C4' energy: -82.922
flat angles C4'-P-C4' energy: -104.721
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -91.422
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: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1025.106740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.106740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.106740 (E_RNA)
where:
Base-Base interactions energy: -672.383
where: short stacking energy: -295.664
Base-Backbone interact. energy: -0.361
local terms energy: -352.362164
where:
bonds (distance) C4'-P energy: -78.605
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -76.494
flat angles P-C4'-P energy: -62.777
tors. eta vs tors. theta energy: -53.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -804.384100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.384100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.384100 (E_RNA)
where:
Base-Base interactions energy: -485.228
where: short stacking energy: -228.923
Base-Backbone interact. energy: -1.465
local terms energy: -317.691154
where:
bonds (distance) C4'-P energy: -89.028
bonds (distance) P-C4' energy: -76.002
flat angles C4'-P-C4' energy: -80.195
flat angles P-C4'-P energy: -43.404
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -572.631270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.631270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.631270 (E_RNA)
where:
Base-Base interactions energy: -294.643
where: short stacking energy: -172.466
Base-Backbone interact. energy: -0.127
local terms energy: -277.861228
where:
bonds (distance) C4'-P energy: -81.278
bonds (distance) P-C4' energy: -88.053
flat angles C4'-P-C4' energy: -69.667
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -1.879
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: 350
Temperature: 0.900000
Total energy: -1822.445407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.445407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.445407 (E_RNA)
where:
Base-Base interactions energy: -1297.408
where: short stacking energy: -504.309
Base-Backbone interact. energy: -1.589
local terms energy: -523.448160
where:
bonds (distance) C4'-P energy: -86.678
bonds (distance) P-C4' energy: -92.969
flat angles C4'-P-C4' energy: -116.820
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -148.485
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1749.952405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.952405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.952405 (E_RNA)
where:
Base-Base interactions energy: -1193.408
where: short stacking energy: -524.001
Base-Backbone interact. energy: 0.699
local terms energy: -557.243383
where:
bonds (distance) C4'-P energy: -97.882
bonds (distance) P-C4' energy: -87.160
flat angles C4'-P-C4' energy: -112.367
flat angles P-C4'-P energy: -80.697
tors. eta vs tors. theta energy: -179.138
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1676.503226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.503226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.503226 (E_RNA)
where:
Base-Base interactions energy: -1202.761
where: short stacking energy: -505.383
Base-Backbone interact. energy: -2.972
local terms energy: -470.770222
where:
bonds (distance) C4'-P energy: -76.908
bonds (distance) P-C4' energy: -78.022
flat angles C4'-P-C4' energy: -113.272
flat angles P-C4'-P energy: -56.472
tors. eta vs tors. theta energy: -146.096
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: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1649.305790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.305790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.305790 (E_RNA)
where:
Base-Base interactions energy: -1146.244
where: short stacking energy: -490.867
Base-Backbone interact. energy: -0.051
local terms energy: -503.010342
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -86.468
flat angles C4'-P-C4' energy: -111.998
flat angles P-C4'-P energy: -68.638
tors. eta vs tors. theta energy: -136.447
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: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1514.288695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.288695 (E_RNA)
where:
Base-Base interactions energy: -1044.247
where: short stacking energy: -448.756
Base-Backbone interact. energy: -1.204
local terms energy: -468.838248
where:
bonds (distance) C4'-P energy: -90.870
bonds (distance) P-C4' energy: -81.217
flat angles C4'-P-C4' energy: -93.697
flat angles P-C4'-P energy: -73.389
tors. eta vs tors. theta energy: -129.665
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: 350
Temperature: 1.150000
Total energy: -1239.921685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.921685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.921685 (E_RNA)
where:
Base-Base interactions energy: -823.034
where: short stacking energy: -361.261
Base-Backbone interact. energy: -2.276
local terms energy: -414.611617
where:
bonds (distance) C4'-P energy: -87.252
bonds (distance) P-C4' energy: -88.158
flat angles C4'-P-C4' energy: -82.619
flat angles P-C4'-P energy: -72.531
tors. eta vs tors. theta energy: -84.051
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: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1225.866835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.866835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.866835 (E_RNA)
where:
Base-Base interactions energy: -809.030
where: short stacking energy: -351.616
Base-Backbone interact. energy: 1.072
local terms energy: -417.909144
where:
bonds (distance) C4'-P energy: -85.391
bonds (distance) P-C4' energy: -85.600
flat angles C4'-P-C4' energy: -88.272
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -92.717
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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1017.753654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.753654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.753654 (E_RNA)
where:
Base-Base interactions energy: -677.139
where: short stacking energy: -305.321
Base-Backbone interact. energy: -2.800
local terms energy: -337.814464
where:
bonds (distance) C4'-P energy: -67.815
bonds (distance) P-C4' energy: -78.914
flat angles C4'-P-C4' energy: -81.592
flat angles P-C4'-P energy: -58.478
tors. eta vs tors. theta energy: -51.015
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: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -852.962136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.962136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.962136 (E_RNA)
where:
Base-Base interactions energy: -511.495
where: short stacking energy: -246.004
Base-Backbone interact. energy: -2.259
local terms energy: -339.208297
where:
bonds (distance) C4'-P energy: -69.050
bonds (distance) P-C4' energy: -94.694
flat angles C4'-P-C4' energy: -77.049
flat angles P-C4'-P energy: -49.446
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -557.637744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.637744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.637744 (E_RNA)
where:
Base-Base interactions energy: -290.670
where: short stacking energy: -150.538
Base-Backbone interact. energy: -0.269
local terms energy: -266.699369
where:
bonds (distance) C4'-P energy: -64.214
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -73.266
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1837.714087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.714087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.714087 (E_RNA)
where:
Base-Base interactions energy: -1310.042
where: short stacking energy: -519.107
Base-Backbone interact. energy: -3.051
local terms energy: -524.621160
where:
bonds (distance) C4'-P energy: -93.437
bonds (distance) P-C4' energy: -101.600
flat angles C4'-P-C4' energy: -110.839
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -145.666
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1724.772295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.772295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.772295 (E_RNA)
where:
Base-Base interactions energy: -1179.845
where: short stacking energy: -518.593
Base-Backbone interact. energy: -1.950
local terms energy: -542.976629
where:
bonds (distance) C4'-P energy: -99.228
bonds (distance) P-C4' energy: -91.095
flat angles C4'-P-C4' energy: -115.555
flat angles P-C4'-P energy: -76.465
tors. eta vs tors. theta energy: -160.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1705.985235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.985235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.985235 (E_RNA)
where:
Base-Base interactions energy: -1198.563
where: short stacking energy: -514.675
Base-Backbone interact. energy: -0.242
local terms energy: -507.179913
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -64.582
tors. eta vs tors. theta energy: -151.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1629.018217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.018217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.018217 (E_RNA)
where:
Base-Base interactions energy: -1130.177
where: short stacking energy: -486.675
Base-Backbone interact. energy: 0.983
local terms energy: -499.824681
where:
bonds (distance) C4'-P energy: -78.753
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -79.082
tors. eta vs tors. theta energy: -147.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1509.394943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.394943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.394943 (E_RNA)
where:
Base-Base interactions energy: -1037.589
where: short stacking energy: -453.464
Base-Backbone interact. energy: 2.596
local terms energy: -474.401250
where:
bonds (distance) C4'-P energy: -88.892
bonds (distance) P-C4' energy: -93.081
flat angles C4'-P-C4' energy: -101.703
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -124.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1285.162333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.162333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.162333 (E_RNA)
where:
Base-Base interactions energy: -867.384
where: short stacking energy: -384.953
Base-Backbone interact. energy: -0.437
local terms energy: -417.341291
where:
bonds (distance) C4'-P energy: -84.799
bonds (distance) P-C4' energy: -74.232
flat angles C4'-P-C4' energy: -87.389
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -107.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1247.315734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.315734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.315734 (E_RNA)
where:
Base-Base interactions energy: -825.752
where: short stacking energy: -369.957
Base-Backbone interact. energy: 0.384
local terms energy: -421.947376
where:
bonds (distance) C4'-P energy: -82.730
bonds (distance) P-C4' energy: -75.587
flat angles C4'-P-C4' energy: -98.764
flat angles P-C4'-P energy: -68.587
tors. eta vs tors. theta energy: -96.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1078.013312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.013312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.013312 (E_RNA)
where:
Base-Base interactions energy: -726.966
where: short stacking energy: -316.549
Base-Backbone interact. energy: -1.378
local terms energy: -349.669664
where:
bonds (distance) C4'-P energy: -78.827
bonds (distance) P-C4' energy: -70.066
flat angles C4'-P-C4' energy: -80.555
flat angles P-C4'-P energy: -61.860
tors. eta vs tors. theta energy: -58.361
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -870.778821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.778821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.778821 (E_RNA)
where:
Base-Base interactions energy: -521.204
where: short stacking energy: -234.646
Base-Backbone interact. energy: 0.355
local terms energy: -349.930445
where:
bonds (distance) C4'-P energy: -90.236
bonds (distance) P-C4' energy: -84.448
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -53.520
tors. eta vs tors. theta energy: -39.446
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: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -576.094242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.094242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.094242 (E_RNA)
where:
Base-Base interactions energy: -306.276
where: short stacking energy: -181.526
Base-Backbone interact. energy: -0.820
local terms energy: -268.998401
where:
bonds (distance) C4'-P energy: -82.203
bonds (distance) P-C4' energy: -80.278
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1820.393707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.393707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.393707 (E_RNA)
where:
Base-Base interactions energy: -1290.462
where: short stacking energy: -512.115
Base-Backbone interact. energy: -3.374
local terms energy: -526.557030
where:
bonds (distance) C4'-P energy: -104.397
bonds (distance) P-C4' energy: -100.006
flat angles C4'-P-C4' energy: -108.954
flat angles P-C4'-P energy: -68.649
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: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1728.788175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.788175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.788175 (E_RNA)
where:
Base-Base interactions energy: -1176.257
where: short stacking energy: -534.345
Base-Backbone interact. energy: -1.542
local terms energy: -550.988818
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -110.125
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -169.743
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1711.000709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.000709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.000709 (E_RNA)
where:
Base-Base interactions energy: -1198.828
where: short stacking energy: -503.037
Base-Backbone interact. energy: -1.201
local terms energy: -510.971911
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -97.780
flat angles C4'-P-C4' energy: -112.809
flat angles P-C4'-P energy: -70.117
tors. eta vs tors. theta energy: -147.048
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1634.739425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.739425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.739425 (E_RNA)
where:
Base-Base interactions energy: -1114.902
where: short stacking energy: -487.788
Base-Backbone interact. energy: -1.892
local terms energy: -517.945374
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -99.172
flat angles P-C4'-P energy: -79.613
tors. eta vs tors. theta energy: -149.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1493.063396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.063396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.063396 (E_RNA)
where:
Base-Base interactions energy: -1043.769
where: short stacking energy: -433.993
Base-Backbone interact. energy: 2.769
local terms energy: -452.062735
where:
bonds (distance) C4'-P energy: -78.163
bonds (distance) P-C4' energy: -83.823
flat angles C4'-P-C4' energy: -103.673
flat angles P-C4'-P energy: -61.947
tors. eta vs tors. theta energy: -124.457
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: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1220.709484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.709484 (E_RNA)
where:
Base-Base interactions energy: -827.040
where: short stacking energy: -359.621
Base-Backbone interact. energy: -0.447
local terms energy: -393.222225
where:
bonds (distance) C4'-P energy: -71.257
bonds (distance) P-C4' energy: -90.252
flat angles C4'-P-C4' energy: -94.302
flat angles P-C4'-P energy: -52.153
tors. eta vs tors. theta energy: -85.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1287.420310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.420310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.420310 (E_RNA)
where:
Base-Base interactions energy: -882.521
where: short stacking energy: -398.718
Base-Backbone interact. energy: -2.176
local terms energy: -402.723324
where:
bonds (distance) C4'-P energy: -81.054
bonds (distance) P-C4' energy: -67.970
flat angles C4'-P-C4' energy: -80.010
flat angles P-C4'-P energy: -66.532
tors. eta vs tors. theta energy: -107.158
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: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1048.788988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.788988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.788988 (E_RNA)
where:
Base-Base interactions energy: -678.295
where: short stacking energy: -278.643
Base-Backbone interact. energy: -2.077
local terms energy: -368.416631
where:
bonds (distance) C4'-P energy: -80.338
bonds (distance) P-C4' energy: -87.522
flat angles C4'-P-C4' energy: -75.807
flat angles P-C4'-P energy: -61.383
tors. eta vs tors. theta energy: -63.367
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -868.751538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.751538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.751538 (E_RNA)
where:
Base-Base interactions energy: -531.638
where: short stacking energy: -246.974
Base-Backbone interact. energy: -3.190
local terms energy: -333.924090
where:
bonds (distance) C4'-P energy: -87.844
bonds (distance) P-C4' energy: -78.423
flat angles C4'-P-C4' energy: -86.007
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -38.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -576.295930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.295930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.295930 (E_RNA)
where:
Base-Base interactions energy: -301.549
where: short stacking energy: -173.125
Base-Backbone interact. energy: 2.082
local terms energy: -276.829201
where:
bonds (distance) C4'-P energy: -72.772
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -74.278
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: 2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1832.237222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.237222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.237222 (E_RNA)
where:
Base-Base interactions energy: -1295.917
where: short stacking energy: -528.661
Base-Backbone interact. energy: -0.695
local terms energy: -535.625154
where:
bonds (distance) C4'-P energy: -100.656
bonds (distance) P-C4' energy: -98.515
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -147.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1737.043330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.043330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.043330 (E_RNA)
where:
Base-Base interactions energy: -1223.220
where: short stacking energy: -494.472
Base-Backbone interact. energy: -0.999
local terms energy: -512.823946
where:
bonds (distance) C4'-P energy: -104.119
bonds (distance) P-C4' energy: -90.368
flat angles C4'-P-C4' energy: -104.762
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -138.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1708.979485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.979485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.979485 (E_RNA)
where:
Base-Base interactions energy: -1183.658
where: short stacking energy: -519.260
Base-Backbone interact. energy: -2.198
local terms energy: -523.123371
where:
bonds (distance) C4'-P energy: -86.086
bonds (distance) P-C4' energy: -82.399
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -72.643
tors. eta vs tors. theta energy: -166.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1641.590300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.590300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.590300 (E_RNA)
where:
Base-Base interactions energy: -1155.901
where: short stacking energy: -491.419
Base-Backbone interact. energy: -0.760
local terms energy: -484.929438
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -90.751
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -61.039
tors. eta vs tors. theta energy: -143.067
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: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1502.065018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.065018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.065018 (E_RNA)
where:
Base-Base interactions energy: -1021.146
where: short stacking energy: -458.480
Base-Backbone interact. energy: -2.192
local terms energy: -478.727078
where:
bonds (distance) C4'-P energy: -85.349
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -70.243
tors. eta vs tors. theta energy: -132.157
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: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1334.886696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.886696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.886696 (E_RNA)
where:
Base-Base interactions energy: -895.479
where: short stacking energy: -419.710
Base-Backbone interact. energy: -1.303
local terms energy: -438.105598
where:
bonds (distance) C4'-P energy: -78.902
bonds (distance) P-C4' energy: -81.952
flat angles C4'-P-C4' energy: -106.514
flat angles P-C4'-P energy: -65.626
tors. eta vs tors. theta energy: -105.111
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: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1218.228342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.228342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.228342 (E_RNA)
where:
Base-Base interactions energy: -803.920
where: short stacking energy: -348.498
Base-Backbone interact. energy: 1.212
local terms energy: -415.520303
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -85.454
flat angles C4'-P-C4' energy: -95.541
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -90.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1019.353098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.353098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.353098 (E_RNA)
where:
Base-Base interactions energy: -673.979
where: short stacking energy: -295.970
Base-Backbone interact. energy: -1.546
local terms energy: -343.828641
where:
bonds (distance) C4'-P energy: -74.710
bonds (distance) P-C4' energy: -78.251
flat angles C4'-P-C4' energy: -83.686
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -61.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -879.266558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.266558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.266558 (E_RNA)
where:
Base-Base interactions energy: -576.619
where: short stacking energy: -242.314
Base-Backbone interact. energy: 2.042
local terms energy: -304.689954
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -79.956
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -40.211
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: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -593.904102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.904102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.904102 (E_RNA)
where:
Base-Base interactions energy: -308.163
where: short stacking energy: -175.716
Base-Backbone interact. energy: -1.759
local terms energy: -283.982186
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -77.801
flat angles C4'-P-C4' energy: -95.799
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -9.856
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)