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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/sks1-73fd1f8e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sks1-73fd1f8e/inputs/seq.fa: 1
curr_seq: _GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGACACAGCUGCUGAGAGGCUAGAGAAGGUAGAGGAGAUGGCGCAGGGGACACGGGCAAAGACUUGGGGGUUCCUGGGACCCUCAGACGUGUGUCCUCUUCUCCCUCCUCCCAGGUGUAUGAGGAAUUGCGGGCCACUGGGGCG
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -598.735683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.735683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.735683 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -759.710691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.710691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.710691 (E_RNA)
where:
Base-Base interactions energy: -323.438
where: short stacking energy: -320.507
Base-Backbone interact. energy: 0.156
local terms energy: -436.428817
where:
bonds (distance) C4'-P energy: -96.302
bonds (distance) P-C4' energy: -106.853
flat angles C4'-P-C4' energy: -97.527
flat angles P-C4'-P energy: -65.382
tors. eta vs tors. theta energy: -70.365
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -732.512334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.512334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.512334 (E_RNA)
where:
Base-Base interactions energy: -330.229
where: short stacking energy: -323.905
Base-Backbone interact. energy: -0.053
local terms energy: -402.230847
where:
bonds (distance) C4'-P energy: -92.646
bonds (distance) P-C4' energy: -99.327
flat angles C4'-P-C4' energy: -89.237
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -79.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -668.102639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.102639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.102639 (E_RNA)
where:
Base-Base interactions energy: -272.065
where: short stacking energy: -272.065
Base-Backbone interact. energy: -0.068
local terms energy: -395.968916
where:
bonds (distance) C4'-P energy: -96.103
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -84.025
flat angles P-C4'-P energy: -47.442
tors. eta vs tors. theta energy: -68.861
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -617.346949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.346949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.346949 (E_RNA)
where:
Base-Base interactions energy: -129.897
where: short stacking energy: -129.897
Base-Backbone interact. energy: -0.000
local terms energy: -487.449267
where:
bonds (distance) C4'-P energy: -102.602
bonds (distance) P-C4' energy: -102.690
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -109.572
tors. eta vs tors. theta energy: -68.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -599.754770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.754770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.754770 (E_RNA)
where:
Base-Base interactions energy: -45.623
where: short stacking energy: -45.623
Base-Backbone interact. energy: -0.000
local terms energy: -554.131420
where:
bonds (distance) C4'-P energy: -133.724
bonds (distance) P-C4' energy: -124.546
flat angles C4'-P-C4' energy: -107.335
flat angles P-C4'-P energy: -120.353
tors. eta vs tors. theta energy: -68.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -606.512056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.512056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.512056 (E_RNA)
where:
Base-Base interactions energy: -66.728
where: short stacking energy: -66.728
Base-Backbone interact. energy: -0.000
local terms energy: -539.783537
where:
bonds (distance) C4'-P energy: -123.072
bonds (distance) P-C4' energy: -122.021
flat angles C4'-P-C4' energy: -108.272
flat angles P-C4'-P energy: -118.138
tors. eta vs tors. theta energy: -68.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -601.543612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.543612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.543612 (E_RNA)
where:
Base-Base interactions energy: -73.373
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.000
local terms energy: -528.170629
where:
bonds (distance) C4'-P energy: -117.293
bonds (distance) P-C4' energy: -116.615
flat angles C4'-P-C4' energy: -108.931
flat angles P-C4'-P energy: -116.558
tors. eta vs tors. theta energy: -68.773
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -602.029664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.029664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.029664 (E_RNA)
where:
Base-Base interactions energy: -86.837
where: short stacking energy: -86.837
Base-Backbone interact. energy: -0.000
local terms energy: -515.192187
where:
bonds (distance) C4'-P energy: -111.623
bonds (distance) P-C4' energy: -115.187
flat angles C4'-P-C4' energy: -107.168
flat angles P-C4'-P energy: -113.229
tors. eta vs tors. theta energy: -67.986
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: 2
Temperature: 1.300000
Total energy: -598.148011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.148011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.148011 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.000
local terms energy: -566.952187
where:
bonds (distance) C4'-P energy: -141.101
bonds (distance) P-C4' energy: -130.810
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -122.387
tors. eta vs tors. theta energy: -65.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -598.089095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.089095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.089095 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.000
local terms energy: -567.973682
where:
bonds (distance) C4'-P energy: -141.734
bonds (distance) P-C4' energy: -131.507
flat angles C4'-P-C4' energy: -106.900
flat angles P-C4'-P energy: -122.500
tors. eta vs tors. theta energy: -65.332
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -802.474123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.474123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.474123 (E_RNA)
where:
Base-Base interactions energy: -382.480
where: short stacking energy: -357.080
Base-Backbone interact. energy: -1.604
local terms energy: -418.390349
where:
bonds (distance) C4'-P energy: -96.316
bonds (distance) P-C4' energy: -94.939
flat angles C4'-P-C4' energy: -84.665
flat angles P-C4'-P energy: -58.185
tors. eta vs tors. theta energy: -84.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -771.191708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.191708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.191708 (E_RNA)
where:
Base-Base interactions energy: -347.211
where: short stacking energy: -327.410
Base-Backbone interact. energy: -0.382
local terms energy: -423.599232
where:
bonds (distance) C4'-P energy: -87.000
bonds (distance) P-C4' energy: -97.811
flat angles C4'-P-C4' energy: -94.768
flat angles P-C4'-P energy: -65.431
tors. eta vs tors. theta energy: -78.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -693.478448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.478448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.478448 (E_RNA)
where:
Base-Base interactions energy: -328.616
where: short stacking energy: -290.055
Base-Backbone interact. energy: -0.752
local terms energy: -364.109868
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -93.401
flat angles C4'-P-C4' energy: -86.526
flat angles P-C4'-P energy: -37.556
tors. eta vs tors. theta energy: -64.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -639.788038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.788038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.788038 (E_RNA)
where:
Base-Base interactions energy: -243.878
where: short stacking energy: -241.102
Base-Backbone interact. energy: -0.520
local terms energy: -395.390774
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -110.232
flat angles C4'-P-C4' energy: -91.533
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -49.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -595.229926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.229926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.229926 (E_RNA)
where:
Base-Base interactions energy: -251.946
where: short stacking energy: -245.083
Base-Backbone interact. energy: -0.265
local terms energy: -343.018437
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -81.882
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -46.260
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -603.361812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.361812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.361812 (E_RNA)
where:
Base-Base interactions energy: -277.199
where: short stacking energy: -196.122
Base-Backbone interact. energy: -0.407
local terms energy: -325.755566
where:
bonds (distance) C4'-P energy: -74.161
bonds (distance) P-C4' energy: -89.916
flat angles C4'-P-C4' energy: -79.625
flat angles P-C4'-P energy: -55.705
tors. eta vs tors. theta energy: -26.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -500.408567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.408567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.408567 (E_RNA)
where:
Base-Base interactions energy: -185.707
where: short stacking energy: -147.023
Base-Backbone interact. energy: 2.960
local terms energy: -317.660999
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -82.411
flat angles C4'-P-C4' energy: -84.334
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -7.895
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -567.874713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.874713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.874713 (E_RNA)
where:
Base-Base interactions energy: -301.875
where: short stacking energy: -175.180
Base-Backbone interact. energy: 0.109
local terms energy: -266.108694
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -76.758
flat angles C4'-P-C4' energy: -74.923
flat angles P-C4'-P energy: -36.541
tors. eta vs tors. theta energy: -14.439
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -488.577030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.577030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.577030 (E_RNA)
where:
Base-Base interactions energy: -234.701
where: short stacking energy: -182.795
Base-Backbone interact. energy: -0.459
local terms energy: -253.416479
where:
bonds (distance) C4'-P energy: -66.180
bonds (distance) P-C4' energy: -76.770
flat angles C4'-P-C4' energy: -68.160
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -355.423001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.423001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.423001 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -118.658
Base-Backbone interact. energy: 4.239
local terms energy: -227.577789
where:
bonds (distance) C4'-P energy: -63.487
bonds (distance) P-C4' energy: -84.946
flat angles C4'-P-C4' energy: -59.486
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: 11.145
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -862.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.791207 (E_RNA)
where:
Base-Base interactions energy: -441.665
where: short stacking energy: -348.772
Base-Backbone interact. energy: 1.562
local terms energy: -422.687969
where:
bonds (distance) C4'-P energy: -87.753
bonds (distance) P-C4' energy: -90.520
flat angles C4'-P-C4' energy: -104.366
flat angles P-C4'-P energy: -58.865
tors. eta vs tors. theta energy: -81.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -759.424733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.424733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.424733 (E_RNA)
where:
Base-Base interactions energy: -369.856
where: short stacking energy: -318.507
Base-Backbone interact. energy: 0.036
local terms energy: -389.604053
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -85.963
flat angles C4'-P-C4' energy: -94.116
flat angles P-C4'-P energy: -56.654
tors. eta vs tors. theta energy: -60.714
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -747.324923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.324923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.324923 (E_RNA)
where:
Base-Base interactions energy: -357.661
where: short stacking energy: -297.305
Base-Backbone interact. energy: -0.749
local terms energy: -388.914281
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -89.222
flat angles P-C4'-P energy: -56.562
tors. eta vs tors. theta energy: -61.575
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -705.763758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.763758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.763758 (E_RNA)
where:
Base-Base interactions energy: -341.741
where: short stacking energy: -256.265
Base-Backbone interact. energy: -2.135
local terms energy: -361.887716
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -93.364
flat angles C4'-P-C4' energy: -83.317
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -45.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -679.026112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.026112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.026112 (E_RNA)
where:
Base-Base interactions energy: -323.586
where: short stacking energy: -273.651
Base-Backbone interact. energy: -1.289
local terms energy: -354.151223
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -78.747
flat angles C4'-P-C4' energy: -91.291
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -53.302
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -587.833124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.833124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.833124 (E_RNA)
where:
Base-Base interactions energy: -278.403
where: short stacking energy: -222.643
Base-Backbone interact. energy: -1.336
local terms energy: -308.093262
where:
bonds (distance) C4'-P energy: -85.245
bonds (distance) P-C4' energy: -78.600
flat angles C4'-P-C4' energy: -74.931
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -21.275
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -675.988745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.988745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.988745 (E_RNA)
where:
Base-Base interactions energy: -355.491
where: short stacking energy: -199.926
Base-Backbone interact. energy: 0.723
local terms energy: -321.221160
where:
bonds (distance) C4'-P energy: -76.080
bonds (distance) P-C4' energy: -87.271
flat angles C4'-P-C4' energy: -68.807
flat angles P-C4'-P energy: -57.521
tors. eta vs tors. theta energy: -31.542
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -450.975347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.975347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.975347 (E_RNA)
where:
Base-Base interactions energy: -203.507
where: short stacking energy: -144.790
Base-Backbone interact. energy: -0.358
local terms energy: -247.109856
where:
bonds (distance) C4'-P energy: -66.297
bonds (distance) P-C4' energy: -70.589
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -446.161500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.161500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.161500 (E_RNA)
where:
Base-Base interactions energy: -204.398
where: short stacking energy: -145.410
Base-Backbone interact. energy: -0.211
local terms energy: -241.553468
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -73.074
flat angles C4'-P-C4' energy: -47.598
flat angles P-C4'-P energy: -46.870
tors. eta vs tors. theta energy: -5.285
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -455.090115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.090115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.090115 (E_RNA)
where:
Base-Base interactions energy: -217.176
where: short stacking energy: -132.625
Base-Backbone interact. energy: -0.825
local terms energy: -237.089119
where:
bonds (distance) C4'-P energy: -69.008
bonds (distance) P-C4' energy: -78.581
flat angles C4'-P-C4' energy: -55.650
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: 2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -940.023969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.023969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.023969 (E_RNA)
where:
Base-Base interactions energy: -510.499
where: short stacking energy: -356.232
Base-Backbone interact. energy: -0.900
local terms energy: -428.624676
where:
bonds (distance) C4'-P energy: -99.249
bonds (distance) P-C4' energy: -83.891
flat angles C4'-P-C4' energy: -99.360
flat angles P-C4'-P energy: -64.929
tors. eta vs tors. theta energy: -81.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -864.523305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.523305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.523305 (E_RNA)
where:
Base-Base interactions energy: -465.939
where: short stacking energy: -343.897
Base-Backbone interact. energy: -0.468
local terms energy: -398.116338
where:
bonds (distance) C4'-P energy: -83.452
bonds (distance) P-C4' energy: -90.372
flat angles C4'-P-C4' energy: -93.168
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -80.113
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: 5
Temperature: 1.000000
Total energy: -755.681251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.681251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.681251 (E_RNA)
where:
Base-Base interactions energy: -367.443
where: short stacking energy: -297.852
Base-Backbone interact. energy: -0.414
local terms energy: -387.824664
where:
bonds (distance) C4'-P energy: -95.080
bonds (distance) P-C4' energy: -93.272
flat angles C4'-P-C4' energy: -84.653
flat angles P-C4'-P energy: -52.021
tors. eta vs tors. theta energy: -62.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -718.771426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.771426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.771426 (E_RNA)
where:
Base-Base interactions energy: -371.192
where: short stacking energy: -262.466
Base-Backbone interact. energy: 0.372
local terms energy: -347.950927
where:
bonds (distance) C4'-P energy: -75.423
bonds (distance) P-C4' energy: -77.629
flat angles C4'-P-C4' energy: -96.239
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -51.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -663.081879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.081879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.081879 (E_RNA)
where:
Base-Base interactions energy: -343.268
where: short stacking energy: -217.564
Base-Backbone interact. energy: -0.697
local terms energy: -319.117242
where:
bonds (distance) C4'-P energy: -70.190
bonds (distance) P-C4' energy: -84.862
flat angles C4'-P-C4' energy: -85.671
flat angles P-C4'-P energy: -45.016
tors. eta vs tors. theta energy: -33.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -774.630608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.630608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.630608 (E_RNA)
where:
Base-Base interactions energy: -463.816
where: short stacking energy: -235.279
Base-Backbone interact. energy: -1.118
local terms energy: -309.696758
where:
bonds (distance) C4'-P energy: -78.482
bonds (distance) P-C4' energy: -62.625
flat angles C4'-P-C4' energy: -82.901
flat angles P-C4'-P energy: -53.192
tors. eta vs tors. theta energy: -32.497
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -578.811202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.811202 (E_RNA)
where:
Base-Base interactions energy: -306.933
where: short stacking energy: -168.301
Base-Backbone interact. energy: -0.859
local terms energy: -271.019095
where:
bonds (distance) C4'-P energy: -69.905
bonds (distance) P-C4' energy: -68.680
flat angles C4'-P-C4' energy: -73.162
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -488.526204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.526204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.526204 (E_RNA)
where:
Base-Base interactions energy: -237.126
where: short stacking energy: -164.646
Base-Backbone interact. energy: 3.833
local terms energy: -255.232897
where:
bonds (distance) C4'-P energy: -66.511
bonds (distance) P-C4' energy: -85.117
flat angles C4'-P-C4' energy: -65.117
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -9.001
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: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -512.527521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.527521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.527521 (E_RNA)
where:
Base-Base interactions energy: -223.300
where: short stacking energy: -152.008
Base-Backbone interact. energy: -2.721
local terms energy: -286.506708
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -87.308
flat angles C4'-P-C4' energy: -67.366
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -449.953624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.953624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.953624 (E_RNA)
where:
Base-Base interactions energy: -175.186
where: short stacking energy: -139.288
Base-Backbone interact. energy: 4.129
local terms energy: -278.896514
where:
bonds (distance) C4'-P energy: -71.523
bonds (distance) P-C4' energy: -84.928
flat angles C4'-P-C4' energy: -84.017
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -942.007620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.007620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.007620 (E_RNA)
where:
Base-Base interactions energy: -490.714
where: short stacking energy: -373.998
Base-Backbone interact. energy: -0.035
local terms energy: -451.259177
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -99.593
flat angles C4'-P-C4' energy: -95.707
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -88.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -898.787217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.787217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.787217 (E_RNA)
where:
Base-Base interactions energy: -493.560
where: short stacking energy: -322.871
Base-Backbone interact. energy: -1.447
local terms energy: -403.780043
where:
bonds (distance) C4'-P energy: -87.115
bonds (distance) P-C4' energy: -102.436
flat angles C4'-P-C4' energy: -84.589
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -69.247
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: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -750.291908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.291908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.291908 (E_RNA)
where:
Base-Base interactions energy: -356.610
where: short stacking energy: -278.131
Base-Backbone interact. energy: -0.459
local terms energy: -393.222417
where:
bonds (distance) C4'-P energy: -91.655
bonds (distance) P-C4' energy: -93.074
flat angles C4'-P-C4' energy: -88.723
flat angles P-C4'-P energy: -59.056
tors. eta vs tors. theta energy: -60.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -793.356685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.356685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.356685 (E_RNA)
where:
Base-Base interactions energy: -424.281
where: short stacking energy: -272.869
Base-Backbone interact. energy: -0.553
local terms energy: -368.522162
where:
bonds (distance) C4'-P energy: -68.711
bonds (distance) P-C4' energy: -100.177
flat angles C4'-P-C4' energy: -80.535
flat angles P-C4'-P energy: -61.813
tors. eta vs tors. theta energy: -57.286
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: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -893.046105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.046105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.046105 (E_RNA)
where:
Base-Base interactions energy: -536.754
where: short stacking energy: -288.724
Base-Backbone interact. energy: -2.758
local terms energy: -353.534119
where:
bonds (distance) C4'-P energy: -80.338
bonds (distance) P-C4' energy: -77.760
flat angles C4'-P-C4' energy: -93.252
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -53.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -642.080189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.080189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.080189 (E_RNA)
where:
Base-Base interactions energy: -310.059
where: short stacking energy: -219.617
Base-Backbone interact. energy: -1.608
local terms energy: -330.412824
where:
bonds (distance) C4'-P energy: -84.705
bonds (distance) P-C4' energy: -91.630
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -28.311
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: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -778.820433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.820433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.820433 (E_RNA)
where:
Base-Base interactions energy: -480.222
where: short stacking energy: -227.670
Base-Backbone interact. energy: 3.040
local terms energy: -301.637978
where:
bonds (distance) C4'-P energy: -77.875
bonds (distance) P-C4' energy: -71.242
flat angles C4'-P-C4' energy: -75.498
flat angles P-C4'-P energy: -48.637
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -500.879983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.879983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.879983 (E_RNA)
where:
Base-Base interactions energy: -245.235
where: short stacking energy: -170.985
Base-Backbone interact. energy: 1.691
local terms energy: -257.336658
where:
bonds (distance) C4'-P energy: -66.877
bonds (distance) P-C4' energy: -74.710
flat angles C4'-P-C4' energy: -68.290
flat angles P-C4'-P energy: -50.089
tors. eta vs tors. theta energy: 2.628
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: 7
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -548.334573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.334573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.334573 (E_RNA)
where:
Base-Base interactions energy: -261.987
where: short stacking energy: -170.059
Base-Backbone interact. energy: -1.230
local terms energy: -285.116707
where:
bonds (distance) C4'-P energy: -65.384
bonds (distance) P-C4' energy: -78.642
flat angles C4'-P-C4' energy: -77.039
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -389.919996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.919996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.919996 (E_RNA)
where:
Base-Base interactions energy: -152.281
where: short stacking energy: -143.719
Base-Backbone interact. energy: 0.849
local terms energy: -238.487551
where:
bonds (distance) C4'-P energy: -64.548
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -70.888
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -985.347889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.347889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.347889 (E_RNA)
where:
Base-Base interactions energy: -540.691
where: short stacking energy: -392.629
Base-Backbone interact. energy: -0.567
local terms energy: -444.089386
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -65.312
tors. eta vs tors. theta energy: -95.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -900.833478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.833478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.833478 (E_RNA)
where:
Base-Base interactions energy: -512.786
where: short stacking energy: -318.389
Base-Backbone interact. energy: -2.642
local terms energy: -385.404927
where:
bonds (distance) C4'-P energy: -75.304
bonds (distance) P-C4' energy: -86.049
flat angles C4'-P-C4' energy: -98.881
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -67.804
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: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -796.928028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.928028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.928028 (E_RNA)
where:
Base-Base interactions energy: -409.516
where: short stacking energy: -273.058
Base-Backbone interact. energy: -0.174
local terms energy: -387.238386
where:
bonds (distance) C4'-P energy: -78.883
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -98.748
flat angles P-C4'-P energy: -64.258
tors. eta vs tors. theta energy: -56.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -982.049719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.049719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.049719 (E_RNA)
where:
Base-Base interactions energy: -591.710
where: short stacking energy: -338.666
Base-Backbone interact. energy: -1.897
local terms energy: -388.443094
where:
bonds (distance) C4'-P energy: -69.313
bonds (distance) P-C4' energy: -99.686
flat angles C4'-P-C4' energy: -97.028
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -71.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -753.154325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.154325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.154325 (E_RNA)
where:
Base-Base interactions energy: -392.172
where: short stacking energy: -269.596
Base-Backbone interact. energy: -1.935
local terms energy: -359.047552
where:
bonds (distance) C4'-P energy: -82.766
bonds (distance) P-C4' energy: -87.503
flat angles C4'-P-C4' energy: -82.186
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -50.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -826.829033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.829033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.829033 (E_RNA)
where:
Base-Base interactions energy: -486.735
where: short stacking energy: -254.583
Base-Backbone interact. energy: -1.350
local terms energy: -338.743791
where:
bonds (distance) C4'-P energy: -78.345
bonds (distance) P-C4' energy: -85.147
flat angles C4'-P-C4' energy: -86.636
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -49.971
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -569.109047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.109047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.109047 (E_RNA)
where:
Base-Base interactions energy: -279.100
where: short stacking energy: -185.990
Base-Backbone interact. energy: 1.710
local terms energy: -291.718493
where:
bonds (distance) C4'-P energy: -66.726
bonds (distance) P-C4' energy: -82.569
flat angles C4'-P-C4' energy: -68.522
flat angles P-C4'-P energy: -51.182
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -591.719137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.719137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.719137 (E_RNA)
where:
Base-Base interactions energy: -327.376
where: short stacking energy: -189.919
Base-Backbone interact. energy: 0.279
local terms energy: -264.622202
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -72.637
flat angles C4'-P-C4' energy: -69.793
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -5.025
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: 7
Temperature: 1.300000
Total energy: -497.883730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.883730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.883730 (E_RNA)
where:
Base-Base interactions energy: -247.693
where: short stacking energy: -157.258
Base-Backbone interact. energy: 1.696
local terms energy: -251.886203
where:
bonds (distance) C4'-P energy: -73.888
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: 3.019
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -468.904256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.904256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.904256 (E_RNA)
where:
Base-Base interactions energy: -236.935
where: short stacking energy: -152.860
Base-Backbone interact. energy: 0.608
local terms energy: -232.577278
where:
bonds (distance) C4'-P energy: -60.119
bonds (distance) P-C4' energy: -73.395
flat angles C4'-P-C4' energy: -69.036
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: 1.650
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1109.618618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.618618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.618618 (E_RNA)
where:
Base-Base interactions energy: -642.118
where: short stacking energy: -408.971
Base-Backbone interact. energy: -1.054
local terms energy: -466.446852
where:
bonds (distance) C4'-P energy: -92.490
bonds (distance) P-C4' energy: -84.841
flat angles C4'-P-C4' energy: -105.163
flat angles P-C4'-P energy: -73.702
tors. eta vs tors. theta energy: -110.249
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -891.557036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.557036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.557036 (E_RNA)
where:
Base-Base interactions energy: -466.047
where: short stacking energy: -310.956
Base-Backbone interact. energy: -2.896
local terms energy: -422.614280
where:
bonds (distance) C4'-P energy: -99.580
bonds (distance) P-C4' energy: -83.655
flat angles C4'-P-C4' energy: -98.227
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -81.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1036.421203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.421203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.421203 (E_RNA)
where:
Base-Base interactions energy: -635.022
where: short stacking energy: -335.188
Base-Backbone interact. energy: -1.398
local terms energy: -400.000878
where:
bonds (distance) C4'-P energy: -89.461
bonds (distance) P-C4' energy: -92.835
flat angles C4'-P-C4' energy: -93.310
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -74.192
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -712.796247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.796247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.796247 (E_RNA)
where:
Base-Base interactions energy: -354.645
where: short stacking energy: -242.380
Base-Backbone interact. energy: 3.833
local terms energy: -361.984000
where:
bonds (distance) C4'-P energy: -81.804
bonds (distance) P-C4' energy: -89.341
flat angles C4'-P-C4' energy: -89.687
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -56.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -942.509395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.509395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.509395 (E_RNA)
where:
Base-Base interactions energy: -569.183
where: short stacking energy: -297.313
Base-Backbone interact. energy: -0.467
local terms energy: -372.859001
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -86.109
flat angles P-C4'-P energy: -52.764
tors. eta vs tors. theta energy: -62.454
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: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -719.411332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.411332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.411332 (E_RNA)
where:
Base-Base interactions energy: -398.661
where: short stacking energy: -232.621
Base-Backbone interact. energy: -2.131
local terms energy: -318.619288
where:
bonds (distance) C4'-P energy: -71.682
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -36.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -576.830204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.830204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.830204 (E_RNA)
where:
Base-Base interactions energy: -293.359
where: short stacking energy: -194.246
Base-Backbone interact. energy: -2.217
local terms energy: -281.253451
where:
bonds (distance) C4'-P energy: -80.920
bonds (distance) P-C4' energy: -81.173
flat angles C4'-P-C4' energy: -69.759
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -15.047
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: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -611.868455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.868455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.868455 (E_RNA)
where:
Base-Base interactions energy: -323.064
where: short stacking energy: -206.549
Base-Backbone interact. energy: 3.317
local terms energy: -292.121415
where:
bonds (distance) C4'-P energy: -72.639
bonds (distance) P-C4' energy: -74.973
flat angles C4'-P-C4' energy: -78.983
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -493.735768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.735768 (E_RNA)
where:
Base-Base interactions energy: -225.856
where: short stacking energy: -163.063
Base-Backbone interact. energy: 2.291
local terms energy: -270.171085
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -73.164
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -451.854820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.854820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.854820 (E_RNA)
where:
Base-Base interactions energy: -190.202
where: short stacking energy: -134.265
Base-Backbone interact. energy: 1.541
local terms energy: -263.194314
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -81.269
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1131.589015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.589015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.589015 (E_RNA)
where:
Base-Base interactions energy: -674.952
where: short stacking energy: -414.220
Base-Backbone interact. energy: -2.005
local terms energy: -454.631544
where:
bonds (distance) C4'-P energy: -93.602
bonds (distance) P-C4' energy: -99.290
flat angles C4'-P-C4' energy: -96.845
flat angles P-C4'-P energy: -51.468
tors. eta vs tors. theta energy: -113.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1164.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.351651 (E_RNA)
where:
Base-Base interactions energy: -747.868
where: short stacking energy: -382.911
Base-Backbone interact. energy: 1.263
local terms energy: -417.746837
where:
bonds (distance) C4'-P energy: -88.634
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -103.281
flat angles P-C4'-P energy: -60.544
tors. eta vs tors. theta energy: -94.916
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: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -895.921987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.921987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.921987 (E_RNA)
where:
Base-Base interactions energy: -488.932
where: short stacking energy: -353.601
Base-Backbone interact. energy: 0.664
local terms energy: -407.654656
where:
bonds (distance) C4'-P energy: -85.193
bonds (distance) P-C4' energy: -85.337
flat angles C4'-P-C4' energy: -95.244
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -90.564
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1010.666886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.666886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.666886 (E_RNA)
where:
Base-Base interactions energy: -620.229
where: short stacking energy: -294.367
Base-Backbone interact. energy: -1.441
local terms energy: -388.996739
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -91.006
flat angles C4'-P-C4' energy: -83.251
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -67.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -697.082533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.082533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.082533 (E_RNA)
where:
Base-Base interactions energy: -373.935
where: short stacking energy: -242.955
Base-Backbone interact. energy: -0.724
local terms energy: -322.423745
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -64.228
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -43.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -856.920389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.920389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.920389 (E_RNA)
where:
Base-Base interactions energy: -509.336
where: short stacking energy: -292.243
Base-Backbone interact. energy: -0.755
local terms energy: -346.829071
where:
bonds (distance) C4'-P energy: -71.072
bonds (distance) P-C4' energy: -80.358
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -52.192
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -584.558179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.558179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.558179 (E_RNA)
where:
Base-Base interactions energy: -301.943
where: short stacking energy: -178.803
Base-Backbone interact. energy: 4.425
local terms energy: -287.039879
where:
bonds (distance) C4'-P energy: -75.689
bonds (distance) P-C4' energy: -73.716
flat angles C4'-P-C4' energy: -71.549
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -15.582
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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -650.920578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.920578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.920578 (E_RNA)
where:
Base-Base interactions energy: -346.180
where: short stacking energy: -195.358
Base-Backbone interact. energy: -1.426
local terms energy: -303.314947
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -74.003
flat angles C4'-P-C4' energy: -74.361
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -42.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -500.190757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.190757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.190757 (E_RNA)
where:
Base-Base interactions energy: -242.479
where: short stacking energy: -131.383
Base-Backbone interact. energy: 1.196
local terms energy: -258.907709
where:
bonds (distance) C4'-P energy: -75.638
bonds (distance) P-C4' energy: -70.301
flat angles C4'-P-C4' energy: -71.141
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -470.355113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.355113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.355113 (E_RNA)
where:
Base-Base interactions energy: -199.914
where: short stacking energy: -125.416
Base-Backbone interact. energy: -1.422
local terms energy: -269.018850
where:
bonds (distance) C4'-P energy: -83.242
bonds (distance) P-C4' energy: -80.969
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -6.252
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: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1291.120398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.120398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.120398 (E_RNA)
where:
Base-Base interactions energy: -848.319
where: short stacking energy: -405.506
Base-Backbone interact. energy: -0.835
local terms energy: -441.966944
where:
bonds (distance) C4'-P energy: -84.155
bonds (distance) P-C4' energy: -88.734
flat angles C4'-P-C4' energy: -96.353
flat angles P-C4'-P energy: -64.649
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: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1087.885387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.885387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.885387 (E_RNA)
where:
Base-Base interactions energy: -639.587
where: short stacking energy: -377.499
Base-Backbone interact. energy: 0.360
local terms energy: -448.658872
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -91.036
flat angles C4'-P-C4' energy: -100.008
flat angles P-C4'-P energy: -70.069
tors. eta vs tors. theta energy: -98.483
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: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1070.414600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.414600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.414600 (E_RNA)
where:
Base-Base interactions energy: -668.142
where: short stacking energy: -336.952
Base-Backbone interact. energy: -2.642
local terms energy: -399.631194
where:
bonds (distance) C4'-P energy: -84.800
bonds (distance) P-C4' energy: -99.486
flat angles C4'-P-C4' energy: -94.021
flat angles P-C4'-P energy: -44.694
tors. eta vs tors. theta energy: -76.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -817.241137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.241137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.241137 (E_RNA)
where:
Base-Base interactions energy: -426.163
where: short stacking energy: -283.461
Base-Backbone interact. energy: -4.539
local terms energy: -386.538720
where:
bonds (distance) C4'-P energy: -90.838
bonds (distance) P-C4' energy: -88.343
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -49.346
tors. eta vs tors. theta energy: -72.578
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: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -908.179155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.179155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.179155 (E_RNA)
where:
Base-Base interactions energy: -518.317
where: short stacking energy: -312.533
Base-Backbone interact. energy: -0.553
local terms energy: -389.308964
where:
bonds (distance) C4'-P energy: -80.728
bonds (distance) P-C4' energy: -81.627
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -58.078
tors. eta vs tors. theta energy: -83.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -654.504635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.504635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.504635 (E_RNA)
where:
Base-Base interactions energy: -364.766
where: short stacking energy: -196.391
Base-Backbone interact. energy: 0.538
local terms energy: -290.276998
where:
bonds (distance) C4'-P energy: -92.536
bonds (distance) P-C4' energy: -71.625
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -823.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.945015 (E_RNA)
where:
Base-Base interactions energy: -501.979
where: short stacking energy: -259.079
Base-Backbone interact. energy: -2.689
local terms energy: -319.277620
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -80.834
flat angles C4'-P-C4' energy: -77.331
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -45.515
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: 10
Temperature: 1.250000
Total energy: -550.560895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.560895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.560895 (E_RNA)
where:
Base-Base interactions energy: -277.513
where: short stacking energy: -158.910
Base-Backbone interact. energy: -3.737
local terms energy: -269.310893
where:
bonds (distance) C4'-P energy: -74.153
bonds (distance) P-C4' energy: -84.144
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -543.648879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.648879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.648879 (E_RNA)
where:
Base-Base interactions energy: -274.113
where: short stacking energy: -174.545
Base-Backbone interact. energy: -0.528
local terms energy: -269.006984
where:
bonds (distance) C4'-P energy: -67.445
bonds (distance) P-C4' energy: -82.901
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -48.077
tors. eta vs tors. theta energy: -10.191
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -452.687209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.687209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.687209 (E_RNA)
where:
Base-Base interactions energy: -195.003
where: short stacking energy: -112.230
Base-Backbone interact. energy: 2.948
local terms energy: -260.631801
where:
bonds (distance) C4'-P energy: -76.770
bonds (distance) P-C4' energy: -73.858
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: 10.251
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: 1, replica: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1285.470611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.470611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.470611 (E_RNA)
where:
Base-Base interactions energy: -831.203
where: short stacking energy: -398.032
Base-Backbone interact. energy: -1.014
local terms energy: -453.254287
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -94.416
flat angles C4'-P-C4' energy: -99.765
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -105.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1094.307221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.307221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.307221 (E_RNA)
where:
Base-Base interactions energy: -666.063
where: short stacking energy: -390.607
Base-Backbone interact. energy: -1.074
local terms energy: -427.170486
where:
bonds (distance) C4'-P energy: -79.119
bonds (distance) P-C4' energy: -102.809
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -61.979
tors. eta vs tors. theta energy: -93.937
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1155.736932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.736932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.736932 (E_RNA)
where:
Base-Base interactions energy: -734.480
where: short stacking energy: -344.438
Base-Backbone interact. energy: -2.909
local terms energy: -418.347702
where:
bonds (distance) C4'-P energy: -82.228
bonds (distance) P-C4' energy: -90.774
flat angles C4'-P-C4' energy: -100.159
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: -97.413
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: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -941.659826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.659826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.659826 (E_RNA)
where:
Base-Base interactions energy: -557.065
where: short stacking energy: -329.643
Base-Backbone interact. energy: -2.560
local terms energy: -382.034949
where:
bonds (distance) C4'-P energy: -74.403
bonds (distance) P-C4' energy: -97.755
flat angles C4'-P-C4' energy: -78.402
flat angles P-C4'-P energy: -57.271
tors. eta vs tors. theta energy: -74.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -717.283055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.283055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.283055 (E_RNA)
where:
Base-Base interactions energy: -363.555
where: short stacking energy: -234.898
Base-Backbone interact. energy: -2.414
local terms energy: -351.314179
where:
bonds (distance) C4'-P energy: -95.905
bonds (distance) P-C4' energy: -79.984
flat angles C4'-P-C4' energy: -86.561
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -42.803
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: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -817.652206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.652206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.652206 (E_RNA)
where:
Base-Base interactions energy: -477.776
where: short stacking energy: -237.409
Base-Backbone interact. energy: 1.013
local terms energy: -340.888502
where:
bonds (distance) C4'-P energy: -83.544
bonds (distance) P-C4' energy: -76.799
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -37.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -698.970665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.970665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.970665 (E_RNA)
where:
Base-Base interactions energy: -393.748
where: short stacking energy: -224.144
Base-Backbone interact. energy: 1.952
local terms energy: -307.174719
where:
bonds (distance) C4'-P energy: -73.315
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -476.808633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.808633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.808633 (E_RNA)
where:
Base-Base interactions energy: -212.355
where: short stacking energy: -158.233
Base-Backbone interact. energy: 0.309
local terms energy: -264.761930
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -79.783
flat angles C4'-P-C4' energy: -79.519
flat angles P-C4'-P energy: -37.688
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -571.659573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.659573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.659573 (E_RNA)
where:
Base-Base interactions energy: -278.108
where: short stacking energy: -144.851
Base-Backbone interact. energy: 0.863
local terms energy: -294.414717
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -84.422
flat angles C4'-P-C4' energy: -73.315
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -435.089309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.089309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.089309 (E_RNA)
where:
Base-Base interactions energy: -186.177
where: short stacking energy: -135.741
Base-Backbone interact. energy: -0.857
local terms energy: -248.055087
where:
bonds (distance) C4'-P energy: -76.219
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -59.347
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -3.923
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: 12
Temperature: 0.900000
Total energy: -1288.276755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.276755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.276755 (E_RNA)
where:
Base-Base interactions energy: -833.436
where: short stacking energy: -395.057
Base-Backbone interact. energy: -2.346
local terms energy: -452.494351
where:
bonds (distance) C4'-P energy: -89.286
bonds (distance) P-C4' energy: -95.911
flat angles C4'-P-C4' energy: -98.490
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -105.847
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1075.692764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.692764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.692764 (E_RNA)
where:
Base-Base interactions energy: -646.100
where: short stacking energy: -373.652
Base-Backbone interact. energy: -1.637
local terms energy: -427.956528
where:
bonds (distance) C4'-P energy: -90.602
bonds (distance) P-C4' energy: -94.077
flat angles C4'-P-C4' energy: -90.744
flat angles P-C4'-P energy: -58.402
tors. eta vs tors. theta energy: -94.133
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1171.508861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.508861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.508861 (E_RNA)
where:
Base-Base interactions energy: -753.296
where: short stacking energy: -366.634
Base-Backbone interact. energy: -1.224
local terms energy: -416.988814
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -82.979
flat angles C4'-P-C4' energy: -95.821
flat angles P-C4'-P energy: -49.248
tors. eta vs tors. theta energy: -103.474
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: 12
Temperature: 1.050000
Total energy: -965.897036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.897036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.897036 (E_RNA)
where:
Base-Base interactions energy: -566.148
where: short stacking energy: -324.156
Base-Backbone interact. energy: -2.931
local terms energy: -396.817354
where:
bonds (distance) C4'-P energy: -82.592
bonds (distance) P-C4' energy: -86.057
flat angles C4'-P-C4' energy: -92.956
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -74.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -890.756268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.756268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.756268 (E_RNA)
where:
Base-Base interactions energy: -565.543
where: short stacking energy: -288.017
Base-Backbone interact. energy: 3.464
local terms energy: -328.676809
where:
bonds (distance) C4'-P energy: -69.711
bonds (distance) P-C4' energy: -79.317
flat angles C4'-P-C4' energy: -77.085
flat angles P-C4'-P energy: -54.546
tors. eta vs tors. theta energy: -48.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -742.488028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.488028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.488028 (E_RNA)
where:
Base-Base interactions energy: -412.199
where: short stacking energy: -238.140
Base-Backbone interact. energy: -0.988
local terms energy: -329.300815
where:
bonds (distance) C4'-P energy: -71.793
bonds (distance) P-C4' energy: -88.056
flat angles C4'-P-C4' energy: -82.245
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -41.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -662.474144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.474144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.474144 (E_RNA)
where:
Base-Base interactions energy: -378.238
where: short stacking energy: -215.548
Base-Backbone interact. energy: 6.300
local terms energy: -290.536105
where:
bonds (distance) C4'-P energy: -76.170
bonds (distance) P-C4' energy: -74.446
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -33.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -483.968826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.968826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.968826 (E_RNA)
where:
Base-Base interactions energy: -208.957
where: short stacking energy: -163.836
Base-Backbone interact. energy: -0.801
local terms energy: -274.210719
where:
bonds (distance) C4'-P energy: -69.059
bonds (distance) P-C4' energy: -78.525
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -6.372
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -617.680210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.680210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.680210 (E_RNA)
where:
Base-Base interactions energy: -345.182
where: short stacking energy: -176.954
Base-Backbone interact. energy: 0.693
local terms energy: -273.191789
where:
bonds (distance) C4'-P energy: -74.107
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -38.749
tors. eta vs tors. theta energy: -6.533
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: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -405.582632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.582632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.582632 (E_RNA)
where:
Base-Base interactions energy: -171.519
where: short stacking energy: -114.760
Base-Backbone interact. energy: 3.823
local terms energy: -237.887251
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -76.026
flat angles C4'-P-C4' energy: -66.796
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: 5.065
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: 1, replica: 8
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1320.600645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.600645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.600645 (E_RNA)
where:
Base-Base interactions energy: -875.027
where: short stacking energy: -417.992
Base-Backbone interact. energy: -0.875
local terms energy: -444.697947
where:
bonds (distance) C4'-P energy: -90.636
bonds (distance) P-C4' energy: -89.953
flat angles C4'-P-C4' energy: -98.699
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -109.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1272.915359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.915359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.915359 (E_RNA)
where:
Base-Base interactions energy: -825.968
where: short stacking energy: -396.827
Base-Backbone interact. energy: -1.304
local terms energy: -445.643652
where:
bonds (distance) C4'-P energy: -75.755
bonds (distance) P-C4' energy: -102.901
flat angles C4'-P-C4' energy: -101.610
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: -102.279
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: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1062.242661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.242661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.242661 (E_RNA)
where:
Base-Base interactions energy: -653.495
where: short stacking energy: -359.114
Base-Backbone interact. energy: -1.953
local terms energy: -406.795014
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -94.272
flat angles C4'-P-C4' energy: -91.386
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -85.127
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: 13
Temperature: 1.050000
Total energy: -1017.072844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.072844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.072844 (E_RNA)
where:
Base-Base interactions energy: -621.859
where: short stacking energy: -331.251
Base-Backbone interact. energy: -2.384
local terms energy: -392.830209
where:
bonds (distance) C4'-P energy: -79.500
bonds (distance) P-C4' energy: -91.009
flat angles C4'-P-C4' energy: -87.220
flat angles P-C4'-P energy: -55.008
tors. eta vs tors. theta energy: -80.093
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: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -902.618190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.618190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.618190 (E_RNA)
where:
Base-Base interactions energy: -550.202
where: short stacking energy: -284.669
Base-Backbone interact. energy: -2.803
local terms energy: -349.613533
where:
bonds (distance) C4'-P energy: -75.802
bonds (distance) P-C4' energy: -84.035
flat angles C4'-P-C4' energy: -89.396
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -44.104
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: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -735.027964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.027964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.027964 (E_RNA)
where:
Base-Base interactions energy: -382.905
where: short stacking energy: -230.245
Base-Backbone interact. energy: -2.060
local terms energy: -350.062339
where:
bonds (distance) C4'-P energy: -82.707
bonds (distance) P-C4' energy: -84.939
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -39.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -636.332283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.332283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.332283 (E_RNA)
where:
Base-Base interactions energy: -343.117
where: short stacking energy: -171.073
Base-Backbone interact. energy: -2.186
local terms energy: -291.029440
where:
bonds (distance) C4'-P energy: -84.117
bonds (distance) P-C4' energy: -88.029
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -670.443816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.443816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.443816 (E_RNA)
where:
Base-Base interactions energy: -368.435
where: short stacking energy: -233.668
Base-Backbone interact. energy: -3.774
local terms energy: -298.234385
where:
bonds (distance) C4'-P energy: -66.587
bonds (distance) P-C4' energy: -90.955
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -513.031219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.031219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.031219 (E_RNA)
where:
Base-Base interactions energy: -253.408
where: short stacking energy: -171.212
Base-Backbone interact. energy: -0.012
local terms energy: -259.611941
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -77.451
flat angles C4'-P-C4' energy: -69.011
flat angles P-C4'-P energy: -37.955
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -370.621724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.621724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.621724 (E_RNA)
where:
Base-Base interactions energy: -131.526
where: short stacking energy: -114.719
Base-Backbone interact. energy: -3.016
local terms energy: -236.080464
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -72.522
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: 8.908
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: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1337.037453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.037453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.037453 (E_RNA)
where:
Base-Base interactions energy: -869.044
where: short stacking energy: -419.676
Base-Backbone interact. energy: -3.046
local terms energy: -464.947895
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -92.768
flat angles C4'-P-C4' energy: -94.876
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -117.595
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: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1314.239312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.239312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.239312 (E_RNA)
where:
Base-Base interactions energy: -868.784
where: short stacking energy: -403.880
Base-Backbone interact. energy: -4.515
local terms energy: -440.940419
where:
bonds (distance) C4'-P energy: -82.550
bonds (distance) P-C4' energy: -86.893
flat angles C4'-P-C4' energy: -101.863
flat angles P-C4'-P energy: -63.297
tors. eta vs tors. theta energy: -106.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1088.837586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.837586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.837586 (E_RNA)
where:
Base-Base interactions energy: -676.129
where: short stacking energy: -361.578
Base-Backbone interact. energy: -0.803
local terms energy: -411.905107
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -93.820
flat angles C4'-P-C4' energy: -96.313
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -84.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -997.899412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.899412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.899412 (E_RNA)
where:
Base-Base interactions energy: -627.769
where: short stacking energy: -319.624
Base-Backbone interact. energy: -1.937
local terms energy: -368.193635
where:
bonds (distance) C4'-P energy: -78.915
bonds (distance) P-C4' energy: -72.450
flat angles C4'-P-C4' energy: -83.233
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -951.456511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.456511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.456511 (E_RNA)
where:
Base-Base interactions energy: -592.343
where: short stacking energy: -271.589
Base-Backbone interact. energy: -3.533
local terms energy: -355.579685
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -85.089
flat angles C4'-P-C4' energy: -81.403
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -51.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -695.633794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.633794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.633794 (E_RNA)
where:
Base-Base interactions energy: -377.245
where: short stacking energy: -235.101
Base-Backbone interact. energy: -0.778
local terms energy: -317.610739
where:
bonds (distance) C4'-P energy: -79.369
bonds (distance) P-C4' energy: -71.654
flat angles C4'-P-C4' energy: -79.255
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -36.800
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: 14
Temperature: 1.200000
Total energy: -773.963079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.963079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.963079 (E_RNA)
where:
Base-Base interactions energy: -459.199
where: short stacking energy: -225.844
Base-Backbone interact. energy: 1.837
local terms energy: -316.601978
where:
bonds (distance) C4'-P energy: -73.184
bonds (distance) P-C4' energy: -91.072
flat angles C4'-P-C4' energy: -76.099
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -613.703551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.703551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.703551 (E_RNA)
where:
Base-Base interactions energy: -321.220
where: short stacking energy: -191.761
Base-Backbone interact. energy: -1.749
local terms energy: -290.735069
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -82.080
flat angles C4'-P-C4' energy: -75.255
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -509.789881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.789881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.789881 (E_RNA)
where:
Base-Base interactions energy: -234.581
where: short stacking energy: -158.366
Base-Backbone interact. energy: -2.205
local terms energy: -273.003832
where:
bonds (distance) C4'-P energy: -93.373
bonds (distance) P-C4' energy: -63.517
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -11.872
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -358.852442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.852442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.852442 (E_RNA)
where:
Base-Base interactions energy: -138.634
where: short stacking energy: -112.870
Base-Backbone interact. energy: 0.286
local terms energy: -220.503776
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -37.437
tors. eta vs tors. theta energy: 3.314
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: 15
Temperature: 0.900000
Total energy: -1332.569498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.569498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.569498 (E_RNA)
where:
Base-Base interactions energy: -861.301
where: short stacking energy: -415.259
Base-Backbone interact. energy: -2.698
local terms energy: -468.570602
where:
bonds (distance) C4'-P energy: -92.225
bonds (distance) P-C4' energy: -95.264
flat angles C4'-P-C4' energy: -104.491
flat angles P-C4'-P energy: -61.547
tors. eta vs tors. theta energy: -115.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1304.902599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.902599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.902599 (E_RNA)
where:
Base-Base interactions energy: -866.523
where: short stacking energy: -413.597
Base-Backbone interact. energy: 2.900
local terms energy: -441.280196
where:
bonds (distance) C4'-P energy: -81.236
bonds (distance) P-C4' energy: -95.898
flat angles C4'-P-C4' energy: -97.949
flat angles P-C4'-P energy: -65.311
tors. eta vs tors. theta energy: -100.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1112.804349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.804349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.804349 (E_RNA)
where:
Base-Base interactions energy: -708.781
where: short stacking energy: -356.846
Base-Backbone interact. energy: -0.756
local terms energy: -403.266810
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -83.597
flat angles C4'-P-C4' energy: -91.942
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: -80.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1033.924922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.924922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.924922 (E_RNA)
where:
Base-Base interactions energy: -626.319
where: short stacking energy: -350.360
Base-Backbone interact. energy: -2.025
local terms energy: -405.580800
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -86.218
flat angles C4'-P-C4' energy: -86.876
flat angles P-C4'-P energy: -61.670
tors. eta vs tors. theta energy: -84.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1012.180744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.180744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.180744 (E_RNA)
where:
Base-Base interactions energy: -618.020
where: short stacking energy: -303.527
Base-Backbone interact. energy: -1.657
local terms energy: -392.503890
where:
bonds (distance) C4'-P energy: -79.471
bonds (distance) P-C4' energy: -83.159
flat angles C4'-P-C4' energy: -97.418
flat angles P-C4'-P energy: -63.730
tors. eta vs tors. theta energy: -68.727
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: 15
Temperature: 1.150000
Total energy: -838.624995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.624995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.624995 (E_RNA)
where:
Base-Base interactions energy: -497.884
where: short stacking energy: -260.145
Base-Backbone interact. energy: -3.455
local terms energy: -337.285319
where:
bonds (distance) C4'-P energy: -79.660
bonds (distance) P-C4' energy: -82.217
flat angles C4'-P-C4' energy: -80.731
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -46.693
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: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -708.021415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.021415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.021415 (E_RNA)
where:
Base-Base interactions energy: -411.558
where: short stacking energy: -214.196
Base-Backbone interact. energy: 0.788
local terms energy: -297.250764
where:
bonds (distance) C4'-P energy: -81.529
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -80.344
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -28.237
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: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -589.465765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.465765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.465765 (E_RNA)
where:
Base-Base interactions energy: -294.088
where: short stacking energy: -172.500
Base-Backbone interact. energy: 1.402
local terms energy: -296.780693
where:
bonds (distance) C4'-P energy: -80.336
bonds (distance) P-C4' energy: -90.669
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -492.032682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.032682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.032682 (E_RNA)
where:
Base-Base interactions energy: -244.190
where: short stacking energy: -142.988
Base-Backbone interact. energy: 0.975
local terms energy: -248.818222
where:
bonds (distance) C4'-P energy: -74.998
bonds (distance) P-C4' energy: -79.346
flat angles C4'-P-C4' energy: -67.730
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: 7.453
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -403.835946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.835946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.835946 (E_RNA)
where:
Base-Base interactions energy: -185.229
where: short stacking energy: -137.903
Base-Backbone interact. energy: -2.787
local terms energy: -215.819411
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -66.752
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: 9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1351.754601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.754601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.754601 (E_RNA)
where:
Base-Base interactions energy: -908.790
where: short stacking energy: -436.336
Base-Backbone interact. energy: -0.991
local terms energy: -441.972935
where:
bonds (distance) C4'-P energy: -83.168
bonds (distance) P-C4' energy: -91.681
flat angles C4'-P-C4' energy: -96.976
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -118.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1316.780033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.780033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.780033 (E_RNA)
where:
Base-Base interactions energy: -887.482
where: short stacking energy: -410.698
Base-Backbone interact. energy: -4.355
local terms energy: -424.942288
where:
bonds (distance) C4'-P energy: -90.405
bonds (distance) P-C4' energy: -82.412
flat angles C4'-P-C4' energy: -90.748
flat angles P-C4'-P energy: -62.540
tors. eta vs tors. theta energy: -98.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1098.534128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.534128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.534128 (E_RNA)
where:
Base-Base interactions energy: -680.953
where: short stacking energy: -350.019
Base-Backbone interact. energy: -0.201
local terms energy: -417.380614
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -94.476
flat angles C4'-P-C4' energy: -92.020
flat angles P-C4'-P energy: -59.073
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1056.123012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.123012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.123012 (E_RNA)
where:
Base-Base interactions energy: -641.223
where: short stacking energy: -362.742
Base-Backbone interact. energy: -0.936
local terms energy: -413.964096
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -86.290
flat angles C4'-P-C4' energy: -88.889
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -103.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1003.200870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.200870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.200870 (E_RNA)
where:
Base-Base interactions energy: -640.592
where: short stacking energy: -323.130
Base-Backbone interact. energy: 3.966
local terms energy: -366.574820
where:
bonds (distance) C4'-P energy: -80.412
bonds (distance) P-C4' energy: -85.353
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -64.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -791.985606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.985606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.985606 (E_RNA)
where:
Base-Base interactions energy: -467.774
where: short stacking energy: -269.034
Base-Backbone interact. energy: -0.967
local terms energy: -323.244491
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -46.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -722.716127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.716127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.716127 (E_RNA)
where:
Base-Base interactions energy: -418.275
where: short stacking energy: -238.389
Base-Backbone interact. energy: 0.782
local terms energy: -305.222664
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -70.102
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -58.704
tors. eta vs tors. theta energy: -41.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -577.993298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.993298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.993298 (E_RNA)
where:
Base-Base interactions energy: -311.957
where: short stacking energy: -195.764
Base-Backbone interact. energy: -0.597
local terms energy: -265.439922
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -74.582
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -537.456371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.456371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.456371 (E_RNA)
where:
Base-Base interactions energy: -242.103
where: short stacking energy: -150.012
Base-Backbone interact. energy: 1.373
local terms energy: -296.726940
where:
bonds (distance) C4'-P energy: -78.455
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -56.021
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -375.370231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.370231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.370231 (E_RNA)
where:
Base-Base interactions energy: -144.163
where: short stacking energy: -100.829
Base-Backbone interact. energy: -1.302
local terms energy: -229.905363
where:
bonds (distance) C4'-P energy: -76.333
bonds (distance) P-C4' energy: -84.217
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: 26.345
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: 17
Temperature: 0.900000
Total energy: -1410.496056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.496056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.496056 (E_RNA)
where:
Base-Base interactions energy: -949.336
where: short stacking energy: -407.256
Base-Backbone interact. energy: -1.547
local terms energy: -459.613028
where:
bonds (distance) C4'-P energy: -84.883
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -105.884
flat angles P-C4'-P energy: -68.806
tors. eta vs tors. theta energy: -111.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1316.368930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.368930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.368930 (E_RNA)
where:
Base-Base interactions energy: -864.150
where: short stacking energy: -386.150
Base-Backbone interact. energy: -2.602
local terms energy: -449.617091
where:
bonds (distance) C4'-P energy: -92.547
bonds (distance) P-C4' energy: -90.124
flat angles C4'-P-C4' energy: -95.278
flat angles P-C4'-P energy: -64.758
tors. eta vs tors. theta energy: -106.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1135.957392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.957392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.957392 (E_RNA)
where:
Base-Base interactions energy: -710.476
where: short stacking energy: -355.420
Base-Backbone interact. energy: -1.669
local terms energy: -423.812344
where:
bonds (distance) C4'-P energy: -94.588
bonds (distance) P-C4' energy: -95.294
flat angles C4'-P-C4' energy: -88.969
flat angles P-C4'-P energy: -47.143
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: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1020.933474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.933474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.933474 (E_RNA)
where:
Base-Base interactions energy: -625.635
where: short stacking energy: -305.234
Base-Backbone interact. energy: -1.871
local terms energy: -393.427061
where:
bonds (distance) C4'-P energy: -81.841
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -90.391
flat angles P-C4'-P energy: -56.649
tors. eta vs tors. theta energy: -79.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -986.669821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.669821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.669821 (E_RNA)
where:
Base-Base interactions energy: -613.519
where: short stacking energy: -301.867
Base-Backbone interact. energy: -2.606
local terms energy: -370.545527
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -90.541
flat angles C4'-P-C4' energy: -89.016
flat angles P-C4'-P energy: -57.313
tors. eta vs tors. theta energy: -63.226
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: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -828.960680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.960680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.960680 (E_RNA)
where:
Base-Base interactions energy: -499.715
where: short stacking energy: -265.694
Base-Backbone interact. energy: -0.218
local terms energy: -329.027058
where:
bonds (distance) C4'-P energy: -75.020
bonds (distance) P-C4' energy: -78.523
flat angles C4'-P-C4' energy: -81.245
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -45.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -660.027831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.027831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.027831 (E_RNA)
where:
Base-Base interactions energy: -351.077
where: short stacking energy: -198.300
Base-Backbone interact. energy: 3.340
local terms energy: -312.290306
where:
bonds (distance) C4'-P energy: -71.314
bonds (distance) P-C4' energy: -90.382
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -52.748
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -599.128895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.128895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.128895 (E_RNA)
where:
Base-Base interactions energy: -299.514
where: short stacking energy: -181.419
Base-Backbone interact. energy: -0.325
local terms energy: -299.290213
where:
bonds (distance) C4'-P energy: -65.942
bonds (distance) P-C4' energy: -81.931
flat angles C4'-P-C4' energy: -84.591
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -538.842384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.842384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.842384 (E_RNA)
where:
Base-Base interactions energy: -254.349
where: short stacking energy: -154.822
Base-Backbone interact. energy: -1.346
local terms energy: -283.147850
where:
bonds (distance) C4'-P energy: -78.303
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -18.642
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -392.895746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.895746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.895746 (E_RNA)
where:
Base-Base interactions energy: -166.728
where: short stacking energy: -122.526
Base-Backbone interact. energy: -2.580
local terms energy: -223.587536
where:
bonds (distance) C4'-P energy: -68.670
bonds (distance) P-C4' energy: -69.568
flat angles C4'-P-C4' energy: -62.614
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: 1.553
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: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1411.318043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.318043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.318043 (E_RNA)
where:
Base-Base interactions energy: -956.787
where: short stacking energy: -433.148
Base-Backbone interact. energy: -0.370
local terms energy: -454.160983
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -89.799
flat angles P-C4'-P energy: -57.697
tors. eta vs tors. theta energy: -123.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1296.364715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.364715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.364715 (E_RNA)
where:
Base-Base interactions energy: -831.700
where: short stacking energy: -382.042
Base-Backbone interact. energy: -1.898
local terms energy: -462.767278
where:
bonds (distance) C4'-P energy: -78.209
bonds (distance) P-C4' energy: -102.716
flat angles C4'-P-C4' energy: -103.202
flat angles P-C4'-P energy: -68.208
tors. eta vs tors. theta energy: -110.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1129.132004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.132004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.132004 (E_RNA)
where:
Base-Base interactions energy: -703.037
where: short stacking energy: -360.947
Base-Backbone interact. energy: -0.959
local terms energy: -425.135043
where:
bonds (distance) C4'-P energy: -87.874
bonds (distance) P-C4' energy: -94.261
flat angles C4'-P-C4' energy: -89.967
flat angles P-C4'-P energy: -65.096
tors. eta vs tors. theta energy: -87.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1013.763225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.763225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.763225 (E_RNA)
where:
Base-Base interactions energy: -604.395
where: short stacking energy: -347.978
Base-Backbone interact. energy: -1.246
local terms energy: -408.121572
where:
bonds (distance) C4'-P energy: -77.293
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -94.019
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -75.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -990.949927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.949927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.949927 (E_RNA)
where:
Base-Base interactions energy: -611.229
where: short stacking energy: -281.765
Base-Backbone interact. energy: 0.126
local terms energy: -379.846990
where:
bonds (distance) C4'-P energy: -83.017
bonds (distance) P-C4' energy: -85.141
flat angles C4'-P-C4' energy: -84.994
flat angles P-C4'-P energy: -58.391
tors. eta vs tors. theta energy: -68.305
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -903.072598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.072598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.072598 (E_RNA)
where:
Base-Base interactions energy: -523.981
where: short stacking energy: -285.045
Base-Backbone interact. energy: -2.631
local terms energy: -376.460160
where:
bonds (distance) C4'-P energy: -85.112
bonds (distance) P-C4' energy: -83.105
flat angles C4'-P-C4' energy: -86.366
flat angles P-C4'-P energy: -68.971
tors. eta vs tors. theta energy: -52.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -691.866766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.866766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.866766 (E_RNA)
where:
Base-Base interactions energy: -396.577
where: short stacking energy: -228.576
Base-Backbone interact. energy: 2.105
local terms energy: -297.394732
where:
bonds (distance) C4'-P energy: -76.200
bonds (distance) P-C4' energy: -76.417
flat angles C4'-P-C4' energy: -77.738
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -30.037
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: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -602.757154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.757154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.757154 (E_RNA)
where:
Base-Base interactions energy: -311.066
where: short stacking energy: -173.702
Base-Backbone interact. energy: 3.079
local terms energy: -294.770246
where:
bonds (distance) C4'-P energy: -79.186
bonds (distance) P-C4' energy: -83.853
flat angles C4'-P-C4' energy: -74.856
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -14.506
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: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -542.977275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.977275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.977275 (E_RNA)
where:
Base-Base interactions energy: -300.883
where: short stacking energy: -152.112
Base-Backbone interact. energy: -1.161
local terms energy: -240.933561
where:
bonds (distance) C4'-P energy: -65.655
bonds (distance) P-C4' energy: -76.627
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -39.842
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -387.437997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.437997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.437997 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -126.729
Base-Backbone interact. energy: 2.610
local terms energy: -251.067540
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -81.718
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1461.222257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.222257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.222257 (E_RNA)
where:
Base-Base interactions energy: -987.678
where: short stacking energy: -455.110
Base-Backbone interact. energy: -1.341
local terms energy: -472.203540
where:
bonds (distance) C4'-P energy: -99.650
bonds (distance) P-C4' energy: -83.723
flat angles C4'-P-C4' energy: -102.203
flat angles P-C4'-P energy: -68.937
tors. eta vs tors. theta energy: -117.691
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: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1337.015240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.015240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.015240 (E_RNA)
where:
Base-Base interactions energy: -874.291
where: short stacking energy: -409.685
Base-Backbone interact. energy: -1.437
local terms energy: -461.287910
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -100.198
flat angles P-C4'-P energy: -73.084
tors. eta vs tors. theta energy: -123.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1126.605342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.605342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.605342 (E_RNA)
where:
Base-Base interactions energy: -709.525
where: short stacking energy: -386.279
Base-Backbone interact. energy: -1.296
local terms energy: -415.784411
where:
bonds (distance) C4'-P energy: -83.239
bonds (distance) P-C4' energy: -82.467
flat angles C4'-P-C4' energy: -97.291
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: -91.061
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: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1047.607191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.607191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.607191 (E_RNA)
where:
Base-Base interactions energy: -647.435
where: short stacking energy: -379.175
Base-Backbone interact. energy: 1.833
local terms energy: -402.005051
where:
bonds (distance) C4'-P energy: -70.141
bonds (distance) P-C4' energy: -90.426
flat angles C4'-P-C4' energy: -94.081
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -102.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1048.251540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.251540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.251540 (E_RNA)
where:
Base-Base interactions energy: -676.533
where: short stacking energy: -329.318
Base-Backbone interact. energy: 3.534
local terms energy: -375.252132
where:
bonds (distance) C4'-P energy: -77.862
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -97.127
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -80.390
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: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -777.004714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.004714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.004714 (E_RNA)
where:
Base-Base interactions energy: -453.583
where: short stacking energy: -257.611
Base-Backbone interact. energy: 0.352
local terms energy: -323.774049
where:
bonds (distance) C4'-P energy: -69.725
bonds (distance) P-C4' energy: -82.844
flat angles C4'-P-C4' energy: -82.001
flat angles P-C4'-P energy: -50.033
tors. eta vs tors. theta energy: -39.171
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: 19
Temperature: 1.200000
Total energy: -846.943667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.943667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.943667 (E_RNA)
where:
Base-Base interactions energy: -504.796
where: short stacking energy: -274.608
Base-Backbone interact. energy: -0.951
local terms energy: -341.196367
where:
bonds (distance) C4'-P energy: -79.704
bonds (distance) P-C4' energy: -88.210
flat angles C4'-P-C4' energy: -71.016
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -50.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -714.251226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.251226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.251226 (E_RNA)
where:
Base-Base interactions energy: -406.377
where: short stacking energy: -216.353
Base-Backbone interact. energy: 0.439
local terms energy: -308.313735
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -88.144
flat angles C4'-P-C4' energy: -63.026
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -526.503767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.503767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.503767 (E_RNA)
where:
Base-Base interactions energy: -238.059
where: short stacking energy: -137.905
Base-Backbone interact. energy: -0.458
local terms energy: -287.986530
where:
bonds (distance) C4'-P energy: -71.711
bonds (distance) P-C4' energy: -86.639
flat angles C4'-P-C4' energy: -69.730
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -375.470574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.470574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.470574 (E_RNA)
where:
Base-Base interactions energy: -135.934
where: short stacking energy: -98.922
Base-Backbone interact. energy: -0.563
local terms energy: -238.973850
where:
bonds (distance) C4'-P energy: -72.542
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: 10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1435.654551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.654551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.654551 (E_RNA)
where:
Base-Base interactions energy: -970.457
where: short stacking energy: -456.341
Base-Backbone interact. energy: -1.019
local terms energy: -464.177806
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -92.989
flat angles C4'-P-C4' energy: -103.335
flat angles P-C4'-P energy: -70.498
tors. eta vs tors. theta energy: -115.003
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1325.865676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.865676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.865676 (E_RNA)
where:
Base-Base interactions energy: -872.311
where: short stacking energy: -418.138
Base-Backbone interact. energy: -4.695
local terms energy: -448.859723
where:
bonds (distance) C4'-P energy: -81.722
bonds (distance) P-C4' energy: -84.077
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -62.193
tors. eta vs tors. theta energy: -108.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1157.591467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.591467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.591467 (E_RNA)
where:
Base-Base interactions energy: -734.727
where: short stacking energy: -372.756
Base-Backbone interact. energy: 1.918
local terms energy: -424.781754
where:
bonds (distance) C4'-P energy: -94.264
bonds (distance) P-C4' energy: -84.446
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -98.233
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1059.156199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.156199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.156199 (E_RNA)
where:
Base-Base interactions energy: -645.304
where: short stacking energy: -337.306
Base-Backbone interact. energy: -0.797
local terms energy: -413.055197
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -80.897
flat angles C4'-P-C4' energy: -101.108
flat angles P-C4'-P energy: -60.198
tors. eta vs tors. theta energy: -85.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1030.415611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.415611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.415611 (E_RNA)
where:
Base-Base interactions energy: -647.697
where: short stacking energy: -316.385
Base-Backbone interact. energy: -0.010
local terms energy: -382.708278
where:
bonds (distance) C4'-P energy: -87.536
bonds (distance) P-C4' energy: -86.607
flat angles C4'-P-C4' energy: -89.376
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -75.917
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -792.939658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.939658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.939658 (E_RNA)
where:
Base-Base interactions energy: -449.463
where: short stacking energy: -260.484
Base-Backbone interact. energy: -3.307
local terms energy: -340.169558
where:
bonds (distance) C4'-P energy: -73.846
bonds (distance) P-C4' energy: -80.979
flat angles C4'-P-C4' energy: -85.831
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -54.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -896.180459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.180459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.180459 (E_RNA)
where:
Base-Base interactions energy: -555.638
where: short stacking energy: -280.685
Base-Backbone interact. energy: -0.370
local terms energy: -340.172460
where:
bonds (distance) C4'-P energy: -72.009
bonds (distance) P-C4' energy: -83.610
flat angles C4'-P-C4' energy: -84.422
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -52.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -724.291753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.291753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.291753 (E_RNA)
where:
Base-Base interactions energy: -432.086
where: short stacking energy: -210.725
Base-Backbone interact. energy: 0.065
local terms energy: -292.271098
where:
bonds (distance) C4'-P energy: -62.274
bonds (distance) P-C4' energy: -82.447
flat angles C4'-P-C4' energy: -77.303
flat angles P-C4'-P energy: -43.388
tors. eta vs tors. theta energy: -26.859
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: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -482.488467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.488467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.488467 (E_RNA)
where:
Base-Base interactions energy: -206.763
where: short stacking energy: -130.470
Base-Backbone interact. energy: 3.993
local terms energy: -279.718284
where:
bonds (distance) C4'-P energy: -86.622
bonds (distance) P-C4' energy: -83.295
flat angles C4'-P-C4' energy: -71.597
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: 1.271
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -405.258486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.258486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.258486 (E_RNA)
where:
Base-Base interactions energy: -148.910
where: short stacking energy: -112.974
Base-Backbone interact. energy: 3.311
local terms energy: -259.659397
where:
bonds (distance) C4'-P energy: -61.847
bonds (distance) P-C4' energy: -78.893
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1443.432529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.432529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.432529 (E_RNA)
where:
Base-Base interactions energy: -969.576
where: short stacking energy: -451.185
Base-Backbone interact. energy: -1.839
local terms energy: -472.017559
where:
bonds (distance) C4'-P energy: -92.148
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -108.725
flat angles P-C4'-P energy: -61.125
tors. eta vs tors. theta energy: -118.365
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1347.926147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.926147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.926147 (E_RNA)
where:
Base-Base interactions energy: -905.019
where: short stacking energy: -434.201
Base-Backbone interact. energy: -3.542
local terms energy: -439.365590
where:
bonds (distance) C4'-P energy: -81.551
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -69.607
tors. eta vs tors. theta energy: -117.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1161.504145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.504145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.504145 (E_RNA)
where:
Base-Base interactions energy: -738.537
where: short stacking energy: -378.660
Base-Backbone interact. energy: -0.300
local terms energy: -422.667135
where:
bonds (distance) C4'-P energy: -93.752
bonds (distance) P-C4' energy: -90.152
flat angles C4'-P-C4' energy: -85.519
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -94.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1122.678252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.678252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.678252 (E_RNA)
where:
Base-Base interactions energy: -684.609
where: short stacking energy: -356.744
Base-Backbone interact. energy: -1.485
local terms energy: -436.584538
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -92.953
flat angles C4'-P-C4' energy: -103.822
flat angles P-C4'-P energy: -65.615
tors. eta vs tors. theta energy: -94.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -991.123917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.123917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.123917 (E_RNA)
where:
Base-Base interactions energy: -645.867
where: short stacking energy: -279.019
Base-Backbone interact. energy: 0.799
local terms energy: -346.056263
where:
bonds (distance) C4'-P energy: -78.267
bonds (distance) P-C4' energy: -88.603
flat angles C4'-P-C4' energy: -88.379
flat angles P-C4'-P energy: -50.826
tors. eta vs tors. theta energy: -39.981
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -934.702176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.702176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.702176 (E_RNA)
where:
Base-Base interactions energy: -580.559
where: short stacking energy: -294.029
Base-Backbone interact. energy: -1.059
local terms energy: -353.083977
where:
bonds (distance) C4'-P energy: -84.127
bonds (distance) P-C4' energy: -80.525
flat angles C4'-P-C4' energy: -85.621
flat angles P-C4'-P energy: -35.619
tors. eta vs tors. theta energy: -67.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -731.361331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.361331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.361331 (E_RNA)
where:
Base-Base interactions energy: -427.494
where: short stacking energy: -216.073
Base-Backbone interact. energy: -1.268
local terms energy: -302.600101
where:
bonds (distance) C4'-P energy: -76.090
bonds (distance) P-C4' energy: -74.895
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -38.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -764.092065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.092065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.092065 (E_RNA)
where:
Base-Base interactions energy: -446.186
where: short stacking energy: -222.667
Base-Backbone interact. energy: -1.082
local terms energy: -316.823889
where:
bonds (distance) C4'-P energy: -63.809
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -80.990
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -504.956611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.956611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.956611 (E_RNA)
where:
Base-Base interactions energy: -244.410
where: short stacking energy: -159.536
Base-Backbone interact. energy: -1.334
local terms energy: -259.212887
where:
bonds (distance) C4'-P energy: -73.277
bonds (distance) P-C4' energy: -82.516
flat angles C4'-P-C4' energy: -77.567
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: 5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -382.443644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.443644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.443644 (E_RNA)
where:
Base-Base interactions energy: -162.110
where: short stacking energy: -105.871
Base-Backbone interact. energy: -0.520
local terms energy: -219.812907
where:
bonds (distance) C4'-P energy: -71.624
bonds (distance) P-C4' energy: -68.081
flat angles C4'-P-C4' energy: -54.542
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: 10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1445.746124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.746124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.746124 (E_RNA)
where:
Base-Base interactions energy: -963.324
where: short stacking energy: -440.240
Base-Backbone interact. energy: 0.021
local terms energy: -482.443063
where:
bonds (distance) C4'-P energy: -95.118
bonds (distance) P-C4' energy: -92.914
flat angles C4'-P-C4' energy: -103.407
flat angles P-C4'-P energy: -62.534
tors. eta vs tors. theta energy: -128.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1381.407571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.407571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.407571 (E_RNA)
where:
Base-Base interactions energy: -906.747
where: short stacking energy: -430.403
Base-Backbone interact. energy: -1.236
local terms energy: -473.425549
where:
bonds (distance) C4'-P energy: -94.307
bonds (distance) P-C4' energy: -99.778
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -59.429
tors. eta vs tors. theta energy: -123.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1199.499642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.499642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.499642 (E_RNA)
where:
Base-Base interactions energy: -777.422
where: short stacking energy: -382.134
Base-Backbone interact. energy: -1.506
local terms energy: -420.571484
where:
bonds (distance) C4'-P energy: -81.361
bonds (distance) P-C4' energy: -85.583
flat angles C4'-P-C4' energy: -95.673
flat angles P-C4'-P energy: -60.222
tors. eta vs tors. theta energy: -97.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1142.001884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.001884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.001884 (E_RNA)
where:
Base-Base interactions energy: -720.852
where: short stacking energy: -391.002
Base-Backbone interact. energy: -2.725
local terms energy: -418.424874
where:
bonds (distance) C4'-P energy: -82.826
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -91.679
flat angles P-C4'-P energy: -56.861
tors. eta vs tors. theta energy: -104.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -986.487632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.487632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.487632 (E_RNA)
where:
Base-Base interactions energy: -601.359
where: short stacking energy: -289.331
Base-Backbone interact. energy: -0.065
local terms energy: -385.063182
where:
bonds (distance) C4'-P energy: -82.838
bonds (distance) P-C4' energy: -95.521
flat angles C4'-P-C4' energy: -92.614
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -62.101
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: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -985.526166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.526166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.526166 (E_RNA)
where:
Base-Base interactions energy: -618.005
where: short stacking energy: -288.554
Base-Backbone interact. energy: -1.924
local terms energy: -365.597666
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -76.130
flat angles C4'-P-C4' energy: -83.419
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -67.311
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: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -842.020579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.020579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.020579 (E_RNA)
where:
Base-Base interactions energy: -489.074
where: short stacking energy: -274.904
Base-Backbone interact. energy: -0.500
local terms energy: -352.447180
where:
bonds (distance) C4'-P energy: -87.477
bonds (distance) P-C4' energy: -68.536
flat angles C4'-P-C4' energy: -83.460
flat angles P-C4'-P energy: -61.308
tors. eta vs tors. theta energy: -51.666
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: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -670.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.341514 (E_RNA)
where:
Base-Base interactions energy: -387.011
where: short stacking energy: -205.298
Base-Backbone interact. energy: -1.888
local terms energy: -281.442185
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -68.339
flat angles C4'-P-C4' energy: -55.937
flat angles P-C4'-P energy: -48.316
tors. eta vs tors. theta energy: -32.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -535.496340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.496340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.496340 (E_RNA)
where:
Base-Base interactions energy: -269.519
where: short stacking energy: -188.148
Base-Backbone interact. energy: -0.963
local terms energy: -265.013953
where:
bonds (distance) C4'-P energy: -70.497
bonds (distance) P-C4' energy: -70.886
flat angles C4'-P-C4' energy: -70.840
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -395.321566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.321566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.321566 (E_RNA)
where:
Base-Base interactions energy: -168.748
where: short stacking energy: -120.861
Base-Backbone interact. energy: -1.128
local terms energy: -225.445537
where:
bonds (distance) C4'-P energy: -64.220
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: 0.722
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: 23
Temperature: 0.900000
Total energy: -1458.730923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.730923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.730923 (E_RNA)
where:
Base-Base interactions energy: -998.034
where: short stacking energy: -481.584
Base-Backbone interact. energy: -1.510
local terms energy: -459.186712
where:
bonds (distance) C4'-P energy: -82.830
bonds (distance) P-C4' energy: -92.438
flat angles C4'-P-C4' energy: -99.420
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -126.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1437.463780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.463780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.463780 (E_RNA)
where:
Base-Base interactions energy: -982.608
where: short stacking energy: -451.826
Base-Backbone interact. energy: 0.018
local terms energy: -454.873902
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -86.549
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -52.665
tors. eta vs tors. theta energy: -127.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1180.991537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.991537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.991537 (E_RNA)
where:
Base-Base interactions energy: -747.708
where: short stacking energy: -368.834
Base-Backbone interact. energy: -2.351
local terms energy: -430.932268
where:
bonds (distance) C4'-P energy: -86.016
bonds (distance) P-C4' energy: -86.384
flat angles C4'-P-C4' energy: -96.506
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -103.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1153.089886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.089886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.089886 (E_RNA)
where:
Base-Base interactions energy: -726.324
where: short stacking energy: -369.325
Base-Backbone interact. energy: -0.684
local terms energy: -426.081358
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -87.767
flat angles C4'-P-C4' energy: -91.311
flat angles P-C4'-P energy: -57.330
tors. eta vs tors. theta energy: -99.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1026.091137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.091137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.091137 (E_RNA)
where:
Base-Base interactions energy: -625.648
where: short stacking energy: -331.324
Base-Backbone interact. energy: -2.659
local terms energy: -397.784259
where:
bonds (distance) C4'-P energy: -77.289
bonds (distance) P-C4' energy: -79.172
flat angles C4'-P-C4' energy: -95.636
flat angles P-C4'-P energy: -59.648
tors. eta vs tors. theta energy: -86.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1004.540303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.540303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.540303 (E_RNA)
where:
Base-Base interactions energy: -646.587
where: short stacking energy: -312.434
Base-Backbone interact. energy: -0.442
local terms energy: -357.511170
where:
bonds (distance) C4'-P energy: -81.900
bonds (distance) P-C4' energy: -78.906
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -70.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -813.077081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.077081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.077081 (E_RNA)
where:
Base-Base interactions energy: -465.259
where: short stacking energy: -238.097
Base-Backbone interact. energy: 2.857
local terms energy: -350.675091
where:
bonds (distance) C4'-P energy: -83.440
bonds (distance) P-C4' energy: -78.444
flat angles C4'-P-C4' energy: -78.171
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -57.098
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -615.952829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.952829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.952829 (E_RNA)
where:
Base-Base interactions energy: -321.578
where: short stacking energy: -195.928
Base-Backbone interact. energy: 1.015
local terms energy: -295.389405
where:
bonds (distance) C4'-P energy: -79.323
bonds (distance) P-C4' energy: -81.864
flat angles C4'-P-C4' energy: -84.265
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -523.376629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.376629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.376629 (E_RNA)
where:
Base-Base interactions energy: -261.660
where: short stacking energy: -135.991
Base-Backbone interact. energy: -0.480
local terms energy: -261.236070
where:
bonds (distance) C4'-P energy: -75.618
bonds (distance) P-C4' energy: -88.598
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -364.667699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.667699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.667699 (E_RNA)
where:
Base-Base interactions energy: -140.136
where: short stacking energy: -126.206
Base-Backbone interact. energy: 3.182
local terms energy: -227.713913
where:
bonds (distance) C4'-P energy: -70.512
bonds (distance) P-C4' energy: -68.069
flat angles C4'-P-C4' energy: -51.144
flat angles P-C4'-P energy: -47.787
tors. eta vs tors. theta energy: 9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1449.301762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.301762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.301762 (E_RNA)
where:
Base-Base interactions energy: -964.434
where: short stacking energy: -443.928
Base-Backbone interact. energy: -1.676
local terms energy: -483.191697
where:
bonds (distance) C4'-P energy: -97.242
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -70.113
tors. eta vs tors. theta energy: -129.472
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: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1396.067206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.067206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.067206 (E_RNA)
where:
Base-Base interactions energy: -946.519
where: short stacking energy: -424.964
Base-Backbone interact. energy: -1.747
local terms energy: -447.800915
where:
bonds (distance) C4'-P energy: -83.380
bonds (distance) P-C4' energy: -96.089
flat angles C4'-P-C4' energy: -88.353
flat angles P-C4'-P energy: -64.921
tors. eta vs tors. theta energy: -115.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1193.550108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.550108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.550108 (E_RNA)
where:
Base-Base interactions energy: -762.036
where: short stacking energy: -363.601
Base-Backbone interact. energy: -4.078
local terms energy: -427.435953
where:
bonds (distance) C4'-P energy: -82.764
bonds (distance) P-C4' energy: -89.241
flat angles C4'-P-C4' energy: -92.855
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: -104.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1126.350844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.350844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.350844 (E_RNA)
where:
Base-Base interactions energy: -711.531
where: short stacking energy: -379.596
Base-Backbone interact. energy: 3.411
local terms energy: -418.230444
where:
bonds (distance) C4'-P energy: -92.996
bonds (distance) P-C4' energy: -78.806
flat angles C4'-P-C4' energy: -89.845
flat angles P-C4'-P energy: -65.422
tors. eta vs tors. theta energy: -91.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1053.163017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.163017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.163017 (E_RNA)
where:
Base-Base interactions energy: -673.455
where: short stacking energy: -307.581
Base-Backbone interact. energy: -4.738
local terms energy: -374.969950
where:
bonds (distance) C4'-P energy: -87.798
bonds (distance) P-C4' energy: -85.492
flat angles C4'-P-C4' energy: -91.109
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -56.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -919.479510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.479510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.479510 (E_RNA)
where:
Base-Base interactions energy: -555.086
where: short stacking energy: -285.710
Base-Backbone interact. energy: -3.210
local terms energy: -361.183177
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -78.319
flat angles C4'-P-C4' energy: -92.089
flat angles P-C4'-P energy: -50.551
tors. eta vs tors. theta energy: -55.146
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: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -851.034573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.034573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.034573 (E_RNA)
where:
Base-Base interactions energy: -520.714
where: short stacking energy: -263.185
Base-Backbone interact. energy: -1.823
local terms energy: -328.497119
where:
bonds (distance) C4'-P energy: -75.169
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -78.747
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -40.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -596.893634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.893634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.893634 (E_RNA)
where:
Base-Base interactions energy: -319.814
where: short stacking energy: -196.168
Base-Backbone interact. energy: 4.005
local terms energy: -281.084786
where:
bonds (distance) C4'-P energy: -75.855
bonds (distance) P-C4' energy: -70.006
flat angles C4'-P-C4' energy: -67.106
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -505.836348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.836348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.836348 (E_RNA)
where:
Base-Base interactions energy: -261.792
where: short stacking energy: -163.289
Base-Backbone interact. energy: 3.679
local terms energy: -247.723904
where:
bonds (distance) C4'-P energy: -60.473
bonds (distance) P-C4' energy: -82.722
flat angles C4'-P-C4' energy: -75.629
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -0.452
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: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -387.320128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.320128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.320128 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -122.133
Base-Backbone interact. energy: -1.567
local terms energy: -248.597002
where:
bonds (distance) C4'-P energy: -72.531
bonds (distance) P-C4' energy: -87.048
flat angles C4'-P-C4' energy: -62.832
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: 16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1459.142703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.142703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.142703 (E_RNA)
where:
Base-Base interactions energy: -984.924
where: short stacking energy: -451.408
Base-Backbone interact. energy: -0.848
local terms energy: -473.370803
where:
bonds (distance) C4'-P energy: -95.066
bonds (distance) P-C4' energy: -90.259
flat angles C4'-P-C4' energy: -100.919
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -120.805
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: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1417.291211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.291211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.291211 (E_RNA)
where:
Base-Base interactions energy: -964.892
where: short stacking energy: -443.824
Base-Backbone interact. energy: -0.081
local terms energy: -452.317376
where:
bonds (distance) C4'-P energy: -83.759
bonds (distance) P-C4' energy: -82.193
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -61.487
tors. eta vs tors. theta energy: -125.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1223.461565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.461565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.461565 (E_RNA)
where:
Base-Base interactions energy: -807.975
where: short stacking energy: -383.587
Base-Backbone interact. energy: 2.193
local terms energy: -417.680049
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -83.419
flat angles C4'-P-C4' energy: -95.262
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -100.866
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: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1112.506489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.506489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.506489 (E_RNA)
where:
Base-Base interactions energy: -693.774
where: short stacking energy: -337.636
Base-Backbone interact. energy: -2.633
local terms energy: -416.099282
where:
bonds (distance) C4'-P energy: -82.094
bonds (distance) P-C4' energy: -81.388
flat angles C4'-P-C4' energy: -96.062
flat angles P-C4'-P energy: -62.683
tors. eta vs tors. theta energy: -93.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1042.426011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.426011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.426011 (E_RNA)
where:
Base-Base interactions energy: -690.753
where: short stacking energy: -332.904
Base-Backbone interact. energy: -2.850
local terms energy: -348.823533
where:
bonds (distance) C4'-P energy: -85.614
bonds (distance) P-C4' energy: -82.398
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -27.373
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: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -953.989342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.989342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.989342 (E_RNA)
where:
Base-Base interactions energy: -590.338
where: short stacking energy: -287.892
Base-Backbone interact. energy: -1.688
local terms energy: -361.963605
where:
bonds (distance) C4'-P energy: -84.637
bonds (distance) P-C4' energy: -90.074
flat angles C4'-P-C4' energy: -85.147
flat angles P-C4'-P energy: -46.161
tors. eta vs tors. theta energy: -55.944
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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -764.299250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.299250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.299250 (E_RNA)
where:
Base-Base interactions energy: -443.549
where: short stacking energy: -266.206
Base-Backbone interact. energy: -0.025
local terms energy: -320.725138
where:
bonds (distance) C4'-P energy: -69.447
bonds (distance) P-C4' energy: -78.724
flat angles C4'-P-C4' energy: -82.944
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -43.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -618.214222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.214222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.214222 (E_RNA)
where:
Base-Base interactions energy: -315.210
where: short stacking energy: -200.058
Base-Backbone interact. energy: -2.266
local terms energy: -300.739004
where:
bonds (distance) C4'-P energy: -62.754
bonds (distance) P-C4' energy: -85.654
flat angles C4'-P-C4' energy: -77.179
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -27.560
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: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -498.939241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.939241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.939241 (E_RNA)
where:
Base-Base interactions energy: -224.722
where: short stacking energy: -144.205
Base-Backbone interact. energy: -0.711
local terms energy: -273.505955
where:
bonds (distance) C4'-P energy: -58.271
bonds (distance) P-C4' energy: -91.068
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -449.931185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.931185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.931185 (E_RNA)
where:
Base-Base interactions energy: -205.336
where: short stacking energy: -134.472
Base-Backbone interact. energy: 2.218
local terms energy: -246.813251
where:
bonds (distance) C4'-P energy: -68.217
bonds (distance) P-C4' energy: -64.805
flat angles C4'-P-C4' energy: -58.467
flat angles P-C4'-P energy: -51.906
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: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1482.127930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.127930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.127930 (E_RNA)
where:
Base-Base interactions energy: -987.578
where: short stacking energy: -449.170
Base-Backbone interact. energy: -4.695
local terms energy: -489.855239
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -99.043
flat angles C4'-P-C4' energy: -106.799
flat angles P-C4'-P energy: -61.766
tors. eta vs tors. theta energy: -128.850
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: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1383.247669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.247669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.247669 (E_RNA)
where:
Base-Base interactions energy: -926.734
where: short stacking energy: -411.402
Base-Backbone interact. energy: -1.851
local terms energy: -454.662535
where:
bonds (distance) C4'-P energy: -89.479
bonds (distance) P-C4' energy: -85.508
flat angles C4'-P-C4' energy: -99.948
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -106.253
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: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1256.214459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.214459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.214459 (E_RNA)
where:
Base-Base interactions energy: -800.249
where: short stacking energy: -374.992
Base-Backbone interact. energy: -1.269
local terms energy: -454.696465
where:
bonds (distance) C4'-P energy: -82.231
bonds (distance) P-C4' energy: -87.550
flat angles C4'-P-C4' energy: -99.485
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -111.313
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: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1170.362028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.362028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.362028 (E_RNA)
where:
Base-Base interactions energy: -749.114
where: short stacking energy: -389.437
Base-Backbone interact. energy: -1.022
local terms energy: -420.226324
where:
bonds (distance) C4'-P energy: -83.118
bonds (distance) P-C4' energy: -91.130
flat angles C4'-P-C4' energy: -91.201
flat angles P-C4'-P energy: -57.059
tors. eta vs tors. theta energy: -97.719
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: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1093.394471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.394471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.394471 (E_RNA)
where:
Base-Base interactions energy: -701.275
where: short stacking energy: -317.302
Base-Backbone interact. energy: -3.793
local terms energy: -388.326589
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -83.552
flat angles C4'-P-C4' energy: -89.450
flat angles P-C4'-P energy: -48.856
tors. eta vs tors. theta energy: -78.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1012.484396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.484396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.484396 (E_RNA)
where:
Base-Base interactions energy: -623.807
where: short stacking energy: -321.191
Base-Backbone interact. energy: -3.043
local terms energy: -385.634618
where:
bonds (distance) C4'-P energy: -76.186
bonds (distance) P-C4' energy: -92.993
flat angles C4'-P-C4' energy: -89.852
flat angles P-C4'-P energy: -55.014
tors. eta vs tors. theta energy: -71.590
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: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -799.346136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.346136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.346136 (E_RNA)
where:
Base-Base interactions energy: -458.985
where: short stacking energy: -225.755
Base-Backbone interact. energy: -4.410
local terms energy: -335.950599
where:
bonds (distance) C4'-P energy: -89.805
bonds (distance) P-C4' energy: -81.543
flat angles C4'-P-C4' energy: -71.936
flat angles P-C4'-P energy: -54.350
tors. eta vs tors. theta energy: -38.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -531.851399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.851399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.851399 (E_RNA)
where:
Base-Base interactions energy: -253.899
where: short stacking energy: -143.351
Base-Backbone interact. energy: 2.733
local terms energy: -280.685295
where:
bonds (distance) C4'-P energy: -71.083
bonds (distance) P-C4' energy: -81.848
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -506.520617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.520617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.520617 (E_RNA)
where:
Base-Base interactions energy: -214.820
where: short stacking energy: -167.567
Base-Backbone interact. energy: -0.211
local terms energy: -291.489436
where:
bonds (distance) C4'-P energy: -90.096
bonds (distance) P-C4' energy: -73.675
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -30.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -437.202355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.202355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.202355 (E_RNA)
where:
Base-Base interactions energy: -199.824
where: short stacking energy: -119.208
Base-Backbone interact. energy: 0.957
local terms energy: -238.335105
where:
bonds (distance) C4'-P energy: -73.227
bonds (distance) P-C4' energy: -78.526
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: 6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1478.500734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.500734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.500734 (E_RNA)
where:
Base-Base interactions energy: -991.357
where: short stacking energy: -464.841
Base-Backbone interact. energy: -0.559
local terms energy: -486.584558
where:
bonds (distance) C4'-P energy: -92.139
bonds (distance) P-C4' energy: -96.930
flat angles C4'-P-C4' energy: -102.610
flat angles P-C4'-P energy: -63.090
tors. eta vs tors. theta energy: -131.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1430.686298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.686298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.686298 (E_RNA)
where:
Base-Base interactions energy: -966.938
where: short stacking energy: -444.881
Base-Backbone interact. energy: -2.524
local terms energy: -461.224223
where:
bonds (distance) C4'-P energy: -94.837
bonds (distance) P-C4' energy: -87.339
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -59.628
tors. eta vs tors. theta energy: -117.248
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1273.995824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.995824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.995824 (E_RNA)
where:
Base-Base interactions energy: -859.256
where: short stacking energy: -403.367
Base-Backbone interact. energy: -1.488
local terms energy: -413.251048
where:
bonds (distance) C4'-P energy: -80.456
bonds (distance) P-C4' energy: -93.118
flat angles C4'-P-C4' energy: -78.727
flat angles P-C4'-P energy: -53.797
tors. eta vs tors. theta energy: -107.152
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: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1155.784826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.784826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.784826 (E_RNA)
where:
Base-Base interactions energy: -730.802
where: short stacking energy: -386.487
Base-Backbone interact. energy: -0.678
local terms energy: -424.305051
where:
bonds (distance) C4'-P energy: -80.940
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -91.163
flat angles P-C4'-P energy: -71.423
tors. eta vs tors. theta energy: -94.573
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: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1070.952726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.952726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.952726 (E_RNA)
where:
Base-Base interactions energy: -702.270
where: short stacking energy: -312.996
Base-Backbone interact. energy: -4.010
local terms energy: -364.671924
where:
bonds (distance) C4'-P energy: -79.422
bonds (distance) P-C4' energy: -73.348
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -56.437
tors. eta vs tors. theta energy: -73.256
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: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -994.969023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.969023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.969023 (E_RNA)
where:
Base-Base interactions energy: -647.071
where: short stacking energy: -307.046
Base-Backbone interact. energy: 0.327
local terms energy: -348.224543
where:
bonds (distance) C4'-P energy: -80.440
bonds (distance) P-C4' energy: -77.847
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: -62.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -852.770085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.770085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.770085 (E_RNA)
where:
Base-Base interactions energy: -520.687
where: short stacking energy: -257.596
Base-Backbone interact. energy: -2.063
local terms energy: -330.019904
where:
bonds (distance) C4'-P energy: -72.271
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -82.471
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -51.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -573.900615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.900615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.900615 (E_RNA)
where:
Base-Base interactions energy: -281.055
where: short stacking energy: -198.636
Base-Backbone interact. energy: -0.177
local terms energy: -292.668261
where:
bonds (distance) C4'-P energy: -85.157
bonds (distance) P-C4' energy: -82.777
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -34.079
tors. eta vs tors. theta energy: -21.864
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -529.646601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.646601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.646601 (E_RNA)
where:
Base-Base interactions energy: -282.636
where: short stacking energy: -155.975
Base-Backbone interact. energy: -0.829
local terms energy: -246.181836
where:
bonds (distance) C4'-P energy: -61.102
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -82.550
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -6.707
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: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -435.530553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.530553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.530553 (E_RNA)
where:
Base-Base interactions energy: -190.229
where: short stacking energy: -143.068
Base-Backbone interact. energy: 0.945
local terms energy: -246.245945
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -57.792
flat angles C4'-P-C4' energy: -71.791
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -8.591
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: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1486.603279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.603279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.603279 (E_RNA)
where:
Base-Base interactions energy: -991.579
where: short stacking energy: -462.383
Base-Backbone interact. energy: -3.324
local terms energy: -491.699640
where:
bonds (distance) C4'-P energy: -95.005
bonds (distance) P-C4' energy: -90.639
flat angles C4'-P-C4' energy: -99.066
flat angles P-C4'-P energy: -74.693
tors. eta vs tors. theta energy: -132.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1435.496319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.496319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.496319 (E_RNA)
where:
Base-Base interactions energy: -958.171
where: short stacking energy: -436.610
Base-Backbone interact. energy: -0.817
local terms energy: -476.508877
where:
bonds (distance) C4'-P energy: -96.320
bonds (distance) P-C4' energy: -96.971
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -64.085
tors. eta vs tors. theta energy: -120.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1249.198937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.198937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.198937 (E_RNA)
where:
Base-Base interactions energy: -811.981
where: short stacking energy: -399.719
Base-Backbone interact. energy: -2.423
local terms energy: -434.795036
where:
bonds (distance) C4'-P energy: -95.682
bonds (distance) P-C4' energy: -83.406
flat angles C4'-P-C4' energy: -92.956
flat angles P-C4'-P energy: -53.983
tors. eta vs tors. theta energy: -108.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1178.564611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.564611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.564611 (E_RNA)
where:
Base-Base interactions energy: -752.134
where: short stacking energy: -389.052
Base-Backbone interact. energy: -1.955
local terms energy: -424.476132
where:
bonds (distance) C4'-P energy: -83.779
bonds (distance) P-C4' energy: -82.708
flat angles C4'-P-C4' energy: -86.441
flat angles P-C4'-P energy: -64.884
tors. eta vs tors. theta energy: -106.664
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: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1139.175037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.175037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.175037 (E_RNA)
where:
Base-Base interactions energy: -757.901
where: short stacking energy: -335.881
Base-Backbone interact. energy: 1.407
local terms energy: -382.681485
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -75.158
flat angles C4'-P-C4' energy: -96.002
flat angles P-C4'-P energy: -65.794
tors. eta vs tors. theta energy: -84.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1015.412854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.412854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.412854 (E_RNA)
where:
Base-Base interactions energy: -663.935
where: short stacking energy: -293.585
Base-Backbone interact. energy: -0.503
local terms energy: -350.975056
where:
bonds (distance) C4'-P energy: -71.950
bonds (distance) P-C4' energy: -78.763
flat angles C4'-P-C4' energy: -84.431
flat angles P-C4'-P energy: -45.998
tors. eta vs tors. theta energy: -69.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -903.433652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.433652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.433652 (E_RNA)
where:
Base-Base interactions energy: -547.045
where: short stacking energy: -299.856
Base-Backbone interact. energy: -2.640
local terms energy: -353.747969
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -64.757
flat angles C4'-P-C4' energy: -88.428
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -58.580
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -576.259941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.259941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.259941 (E_RNA)
where:
Base-Base interactions energy: -293.758
where: short stacking energy: -158.289
Base-Backbone interact. energy: 2.119
local terms energy: -284.621011
where:
bonds (distance) C4'-P energy: -83.658
bonds (distance) P-C4' energy: -84.607
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -52.365
tors. eta vs tors. theta energy: -2.384
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: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -552.695881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.695881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.695881 (E_RNA)
where:
Base-Base interactions energy: -270.939
where: short stacking energy: -168.462
Base-Backbone interact. energy: 1.218
local terms energy: -282.974905
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -75.288
flat angles C4'-P-C4' energy: -68.757
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -22.697
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: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -440.713606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.713606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.713606 (E_RNA)
where:
Base-Base interactions energy: -229.761
where: short stacking energy: -118.021
Base-Backbone interact. energy: -0.709
local terms energy: -210.243621
where:
bonds (distance) C4'-P energy: -70.710
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -60.105
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: 10.656
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: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1474.837838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.837838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.837838 (E_RNA)
where:
Base-Base interactions energy: -992.224
where: short stacking energy: -459.935
Base-Backbone interact. energy: 0.034
local terms energy: -482.647682
where:
bonds (distance) C4'-P energy: -93.235
bonds (distance) P-C4' energy: -97.314
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: -133.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1408.281710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.281710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.281710 (E_RNA)
where:
Base-Base interactions energy: -952.143
where: short stacking energy: -424.147
Base-Backbone interact. energy: -2.799
local terms energy: -453.339728
where:
bonds (distance) C4'-P energy: -88.339
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -93.128
flat angles P-C4'-P energy: -63.473
tors. eta vs tors. theta energy: -118.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1194.134160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.134160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.134160 (E_RNA)
where:
Base-Base interactions energy: -743.911
where: short stacking energy: -369.438
Base-Backbone interact. energy: -4.280
local terms energy: -445.943532
where:
bonds (distance) C4'-P energy: -103.966
bonds (distance) P-C4' energy: -92.745
flat angles C4'-P-C4' energy: -92.066
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -110.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1161.824700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.824700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.824700 (E_RNA)
where:
Base-Base interactions energy: -718.057
where: short stacking energy: -367.971
Base-Backbone interact. energy: -0.384
local terms energy: -443.384211
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -94.674
flat angles C4'-P-C4' energy: -91.308
flat angles P-C4'-P energy: -66.425
tors. eta vs tors. theta energy: -103.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1196.437046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.437046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.437046 (E_RNA)
where:
Base-Base interactions energy: -803.879
where: short stacking energy: -367.905
Base-Backbone interact. energy: -1.260
local terms energy: -391.298078
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -94.838
flat angles P-C4'-P energy: -55.963
tors. eta vs tors. theta energy: -95.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1052.350970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.350970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.350970 (E_RNA)
where:
Base-Base interactions energy: -683.019
where: short stacking energy: -316.785
Base-Backbone interact. energy: -3.000
local terms energy: -366.331735
where:
bonds (distance) C4'-P energy: -68.987
bonds (distance) P-C4' energy: -76.300
flat angles C4'-P-C4' energy: -86.285
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -79.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -844.467395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.467395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.467395 (E_RNA)
where:
Base-Base interactions energy: -518.947
where: short stacking energy: -267.801
Base-Backbone interact. energy: -1.761
local terms energy: -323.760153
where:
bonds (distance) C4'-P energy: -76.793
bonds (distance) P-C4' energy: -71.255
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -53.133
tors. eta vs tors. theta energy: -44.799
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: 29
Temperature: 1.250000
Total energy: -632.415131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.415131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.415131 (E_RNA)
where:
Base-Base interactions energy: -352.547
where: short stacking energy: -189.913
Base-Backbone interact. energy: -0.374
local terms energy: -279.493545
where:
bonds (distance) C4'-P energy: -69.969
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -74.256
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -25.659
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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -583.315052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.315052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.315052 (E_RNA)
where:
Base-Base interactions energy: -327.106
where: short stacking energy: -170.450
Base-Backbone interact. energy: 4.979
local terms energy: -261.187956
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -75.429
flat angles C4'-P-C4' energy: -67.209
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -518.322876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.322876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.322876 (E_RNA)
where:
Base-Base interactions energy: -263.903
where: short stacking energy: -143.958
Base-Backbone interact. energy: 0.619
local terms energy: -255.039471
where:
bonds (distance) C4'-P energy: -70.515
bonds (distance) P-C4' energy: -81.847
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: 8.699
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: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1472.413051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.413051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.413051 (E_RNA)
where:
Base-Base interactions energy: -979.334
where: short stacking energy: -475.101
Base-Backbone interact. energy: -0.245
local terms energy: -492.833790
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -93.076
flat angles C4'-P-C4' energy: -103.595
flat angles P-C4'-P energy: -70.100
tors. eta vs tors. theta energy: -133.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1417.975177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.975177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.975177 (E_RNA)
where:
Base-Base interactions energy: -946.519
where: short stacking energy: -431.593
Base-Backbone interact. energy: -3.083
local terms energy: -468.373388
where:
bonds (distance) C4'-P energy: -83.113
bonds (distance) P-C4' energy: -90.746
flat angles C4'-P-C4' energy: -104.645
flat angles P-C4'-P energy: -71.178
tors. eta vs tors. theta energy: -118.692
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1190.589617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.589617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.589617 (E_RNA)
where:
Base-Base interactions energy: -743.308
where: short stacking energy: -385.202
Base-Backbone interact. energy: -2.977
local terms energy: -444.304634
where:
bonds (distance) C4'-P energy: -78.370
bonds (distance) P-C4' energy: -100.844
flat angles C4'-P-C4' energy: -98.407
flat angles P-C4'-P energy: -62.087
tors. eta vs tors. theta energy: -104.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1143.739149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.739149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.739149 (E_RNA)
where:
Base-Base interactions energy: -722.128
where: short stacking energy: -388.787
Base-Backbone interact. energy: 2.667
local terms energy: -424.277857
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -81.678
flat angles C4'-P-C4' energy: -92.444
flat angles P-C4'-P energy: -66.300
tors. eta vs tors. theta energy: -110.246
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: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1170.591143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.591143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.591143 (E_RNA)
where:
Base-Base interactions energy: -786.111
where: short stacking energy: -381.964
Base-Backbone interact. energy: -2.068
local terms energy: -382.412010
where:
bonds (distance) C4'-P energy: -78.967
bonds (distance) P-C4' energy: -82.419
flat angles C4'-P-C4' energy: -84.574
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -93.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1061.680307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.680307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.680307 (E_RNA)
where:
Base-Base interactions energy: -689.599
where: short stacking energy: -323.091
Base-Backbone interact. energy: 2.515
local terms energy: -374.596944
where:
bonds (distance) C4'-P energy: -73.980
bonds (distance) P-C4' energy: -85.706
flat angles C4'-P-C4' energy: -72.560
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -76.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -766.700768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.700768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.700768 (E_RNA)
where:
Base-Base interactions energy: -473.310
where: short stacking energy: -252.936
Base-Backbone interact. energy: -0.602
local terms energy: -292.788988
where:
bonds (distance) C4'-P energy: -81.973
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -70.984
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -39.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -664.736947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.736947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.736947 (E_RNA)
where:
Base-Base interactions energy: -383.894
where: short stacking energy: -215.182
Base-Backbone interact. energy: 10.337
local terms energy: -291.179790
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -81.101
flat angles C4'-P-C4' energy: -80.913
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -22.949
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: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -635.449274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.449274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.449274 (E_RNA)
where:
Base-Base interactions energy: -358.497
where: short stacking energy: -171.920
Base-Backbone interact. energy: 0.156
local terms energy: -277.108378
where:
bonds (distance) C4'-P energy: -81.565
bonds (distance) P-C4' energy: -75.632
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -473.992537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.992537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.992537 (E_RNA)
where:
Base-Base interactions energy: -213.616
where: short stacking energy: -100.264
Base-Backbone interact. energy: -2.207
local terms energy: -258.169424
where:
bonds (distance) C4'-P energy: -77.564
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: 26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1483.410604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.410604 (E_RNA)
where:
Base-Base interactions energy: -1009.897
where: short stacking energy: -461.775
Base-Backbone interact. energy: -2.775
local terms energy: -470.738513
where:
bonds (distance) C4'-P energy: -88.019
bonds (distance) P-C4' energy: -93.199
flat angles C4'-P-C4' energy: -101.768
flat angles P-C4'-P energy: -61.854
tors. eta vs tors. theta energy: -125.900
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: 31
Temperature: 0.950000
Total energy: -1406.079912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.079912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.079912 (E_RNA)
where:
Base-Base interactions energy: -944.334
where: short stacking energy: -423.627
Base-Backbone interact. energy: -2.776
local terms energy: -458.970016
where:
bonds (distance) C4'-P energy: -82.149
bonds (distance) P-C4' energy: -90.368
flat angles C4'-P-C4' energy: -107.248
flat angles P-C4'-P energy: -69.490
tors. eta vs tors. theta energy: -109.716
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: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1212.924679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.924679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.924679 (E_RNA)
where:
Base-Base interactions energy: -798.581
where: short stacking energy: -405.232
Base-Backbone interact. energy: -0.496
local terms energy: -413.846982
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -84.956
flat angles C4'-P-C4' energy: -91.376
flat angles P-C4'-P energy: -56.325
tors. eta vs tors. theta energy: -100.224
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: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1286.704671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.704671 (E_RNA)
where:
Base-Base interactions energy: -859.903
where: short stacking energy: -358.429
Base-Backbone interact. energy: 1.990
local terms energy: -428.791723
where:
bonds (distance) C4'-P energy: -85.248
bonds (distance) P-C4' energy: -78.274
flat angles C4'-P-C4' energy: -104.351
flat angles P-C4'-P energy: -67.598
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1118.189263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.189263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.189263 (E_RNA)
where:
Base-Base interactions energy: -708.946
where: short stacking energy: -361.007
Base-Backbone interact. energy: -0.910
local terms energy: -408.333507
where:
bonds (distance) C4'-P energy: -90.311
bonds (distance) P-C4' energy: -85.805
flat angles C4'-P-C4' energy: -84.802
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -94.654
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1106.241017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.241017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.241017 (E_RNA)
where:
Base-Base interactions energy: -739.770
where: short stacking energy: -327.818
Base-Backbone interact. energy: -3.395
local terms energy: -363.076069
where:
bonds (distance) C4'-P energy: -91.437
bonds (distance) P-C4' energy: -83.087
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -47.257
tors. eta vs tors. theta energy: -69.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -831.286605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.286605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.286605 (E_RNA)
where:
Base-Base interactions energy: -515.092
where: short stacking energy: -243.075
Base-Backbone interact. energy: 0.276
local terms energy: -316.470240
where:
bonds (distance) C4'-P energy: -66.682
bonds (distance) P-C4' energy: -92.164
flat angles C4'-P-C4' energy: -80.140
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -36.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -700.208228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.208228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.208228 (E_RNA)
where:
Base-Base interactions energy: -423.056
where: short stacking energy: -213.571
Base-Backbone interact. energy: 0.228
local terms energy: -277.380533
where:
bonds (distance) C4'-P energy: -68.717
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -61.063
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -19.937
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: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -665.497204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.497204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.497204 (E_RNA)
where:
Base-Base interactions energy: -382.946
where: short stacking energy: -183.568
Base-Backbone interact. energy: -0.996
local terms energy: -281.555232
where:
bonds (distance) C4'-P energy: -78.850
bonds (distance) P-C4' energy: -62.557
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -432.961665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.961665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.961665 (E_RNA)
where:
Base-Base interactions energy: -182.534
where: short stacking energy: -115.668
Base-Backbone interact. energy: -1.236
local terms energy: -249.192050
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -87.689
flat angles C4'-P-C4' energy: -61.440
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: 14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1481.098465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.098465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.098465 (E_RNA)
where:
Base-Base interactions energy: -996.060
where: short stacking energy: -474.387
Base-Backbone interact. energy: -1.202
local terms energy: -483.836661
where:
bonds (distance) C4'-P energy: -95.937
bonds (distance) P-C4' energy: -91.145
flat angles C4'-P-C4' energy: -105.533
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -129.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1390.912941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.912941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.912941 (E_RNA)
where:
Base-Base interactions energy: -938.716
where: short stacking energy: -433.802
Base-Backbone interact. energy: -0.386
local terms energy: -451.811025
where:
bonds (distance) C4'-P energy: -94.693
bonds (distance) P-C4' energy: -79.582
flat angles C4'-P-C4' energy: -102.736
flat angles P-C4'-P energy: -69.103
tors. eta vs tors. theta energy: -105.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1342.502730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.502730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.502730 (E_RNA)
where:
Base-Base interactions energy: -905.092
where: short stacking energy: -407.816
Base-Backbone interact. energy: -0.647
local terms energy: -436.764048
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -87.142
flat angles C4'-P-C4' energy: -94.727
flat angles P-C4'-P energy: -63.404
tors. eta vs tors. theta energy: -104.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1133.607393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.607393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.607393 (E_RNA)
where:
Base-Base interactions energy: -729.750
where: short stacking energy: -360.587
Base-Backbone interact. energy: -1.702
local terms energy: -402.155223
where:
bonds (distance) C4'-P energy: -77.161
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -90.554
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -95.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1139.739370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.739370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.739370 (E_RNA)
where:
Base-Base interactions energy: -737.039
where: short stacking energy: -369.249
Base-Backbone interact. energy: -1.218
local terms energy: -401.482336
where:
bonds (distance) C4'-P energy: -83.652
bonds (distance) P-C4' energy: -82.591
flat angles C4'-P-C4' energy: -91.294
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -87.722
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1091.345824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.345824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.345824 (E_RNA)
where:
Base-Base interactions energy: -701.017
where: short stacking energy: -340.982
Base-Backbone interact. energy: 2.064
local terms energy: -392.392054
where:
bonds (distance) C4'-P energy: -80.105
bonds (distance) P-C4' energy: -82.481
flat angles C4'-P-C4' energy: -88.677
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -76.775
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: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -845.940146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.940146 (E_RNA)
where:
Base-Base interactions energy: -509.384
where: short stacking energy: -249.442
Base-Backbone interact. energy: -1.868
local terms energy: -334.688052
where:
bonds (distance) C4'-P energy: -83.686
bonds (distance) P-C4' energy: -79.893
flat angles C4'-P-C4' energy: -77.259
flat angles P-C4'-P energy: -52.683
tors. eta vs tors. theta energy: -41.166
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: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -744.912824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.912824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.912824 (E_RNA)
where:
Base-Base interactions energy: -439.087
where: short stacking energy: -219.706
Base-Backbone interact. energy: 0.142
local terms energy: -305.967504
where:
bonds (distance) C4'-P energy: -70.209
bonds (distance) P-C4' energy: -73.248
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -27.285
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -613.067885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.067885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.067885 (E_RNA)
where:
Base-Base interactions energy: -327.113
where: short stacking energy: -173.759
Base-Backbone interact. energy: -1.689
local terms energy: -284.265482
where:
bonds (distance) C4'-P energy: -92.007
bonds (distance) P-C4' energy: -71.612
flat angles C4'-P-C4' energy: -71.193
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -15.095
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: 32
Temperature: 1.350000
Total energy: -429.936137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.936137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.936137 (E_RNA)
where:
Base-Base interactions energy: -197.714
where: short stacking energy: -151.050
Base-Backbone interact. energy: -2.204
local terms energy: -230.018016
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -53.827
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: 15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1485.905238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.905238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.905238 (E_RNA)
where:
Base-Base interactions energy: -984.290
where: short stacking energy: -449.092
Base-Backbone interact. energy: -1.165
local terms energy: -500.450307
where:
bonds (distance) C4'-P energy: -92.382
bonds (distance) P-C4' energy: -94.162
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -128.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1389.269671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.269671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.269671 (E_RNA)
where:
Base-Base interactions energy: -959.625
where: short stacking energy: -449.249
Base-Backbone interact. energy: 7.605
local terms energy: -437.250087
where:
bonds (distance) C4'-P energy: -87.100
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -94.493
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -109.838
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: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1401.505236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.505236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.505236 (E_RNA)
where:
Base-Base interactions energy: -935.253
where: short stacking energy: -412.255
Base-Backbone interact. energy: -5.239
local terms energy: -461.013120
where:
bonds (distance) C4'-P energy: -88.673
bonds (distance) P-C4' energy: -93.506
flat angles C4'-P-C4' energy: -89.360
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -115.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1101.036373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.036373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.036373 (E_RNA)
where:
Base-Base interactions energy: -690.966
where: short stacking energy: -327.924
Base-Backbone interact. energy: 0.404
local terms energy: -410.474660
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -92.733
flat angles C4'-P-C4' energy: -87.926
flat angles P-C4'-P energy: -60.105
tors. eta vs tors. theta energy: -77.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1099.180727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.180727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.180727 (E_RNA)
where:
Base-Base interactions energy: -677.397
where: short stacking energy: -365.784
Base-Backbone interact. energy: -0.864
local terms energy: -420.919778
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -95.449
flat angles C4'-P-C4' energy: -94.570
flat angles P-C4'-P energy: -65.508
tors. eta vs tors. theta energy: -97.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1047.514440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.514440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.514440 (E_RNA)
where:
Base-Base interactions energy: -697.181
where: short stacking energy: -313.717
Base-Backbone interact. energy: -0.467
local terms energy: -349.866079
where:
bonds (distance) C4'-P energy: -79.744
bonds (distance) P-C4' energy: -80.143
flat angles C4'-P-C4' energy: -67.825
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -66.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -861.601642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.601642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.601642 (E_RNA)
where:
Base-Base interactions energy: -533.628
where: short stacking energy: -269.884
Base-Backbone interact. energy: -1.600
local terms energy: -326.373296
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -76.943
flat angles C4'-P-C4' energy: -83.027
flat angles P-C4'-P energy: -50.666
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -753.388591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.388591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.388591 (E_RNA)
where:
Base-Base interactions energy: -434.601
where: short stacking energy: -221.269
Base-Backbone interact. energy: 1.715
local terms energy: -320.502525
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -74.924
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -26.166
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: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -618.499314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.499314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.499314 (E_RNA)
where:
Base-Base interactions energy: -328.234
where: short stacking energy: -178.109
Base-Backbone interact. energy: 3.157
local terms energy: -293.422400
where:
bonds (distance) C4'-P energy: -82.321
bonds (distance) P-C4' energy: -97.486
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -419.157798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.157798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.157798 (E_RNA)
where:
Base-Base interactions energy: -177.506
where: short stacking energy: -132.207
Base-Backbone interact. energy: 4.458
local terms energy: -246.110118
where:
bonds (distance) C4'-P energy: -81.667
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: 0.742
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1492.720162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.720162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.720162 (E_RNA)
where:
Base-Base interactions energy: -1005.362
where: short stacking energy: -477.359
Base-Backbone interact. energy: -2.670
local terms energy: -484.688025
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -102.277
flat angles C4'-P-C4' energy: -101.494
flat angles P-C4'-P energy: -60.676
tors. eta vs tors. theta energy: -127.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1364.385224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.385224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.385224 (E_RNA)
where:
Base-Base interactions energy: -914.020
where: short stacking energy: -421.052
Base-Backbone interact. energy: 3.510
local terms energy: -453.874737
where:
bonds (distance) C4'-P energy: -82.123
bonds (distance) P-C4' energy: -97.257
flat angles C4'-P-C4' energy: -97.373
flat angles P-C4'-P energy: -67.455
tors. eta vs tors. theta energy: -109.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1392.806614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.806614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.806614 (E_RNA)
where:
Base-Base interactions energy: -941.804
where: short stacking energy: -421.799
Base-Backbone interact. energy: -2.059
local terms energy: -448.943954
where:
bonds (distance) C4'-P energy: -93.270
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -96.036
flat angles P-C4'-P energy: -49.288
tors. eta vs tors. theta energy: -113.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1158.004974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.004974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.004974 (E_RNA)
where:
Base-Base interactions energy: -767.049
where: short stacking energy: -366.539
Base-Backbone interact. energy: -0.066
local terms energy: -390.889902
where:
bonds (distance) C4'-P energy: -77.539
bonds (distance) P-C4' energy: -84.448
flat angles C4'-P-C4' energy: -80.336
flat angles P-C4'-P energy: -59.525
tors. eta vs tors. theta energy: -89.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1083.245192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.245192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.245192 (E_RNA)
where:
Base-Base interactions energy: -708.908
where: short stacking energy: -337.801
Base-Backbone interact. energy: 1.715
local terms energy: -376.051966
where:
bonds (distance) C4'-P energy: -84.152
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -49.973
tors. eta vs tors. theta energy: -75.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1050.976055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.976055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.976055 (E_RNA)
where:
Base-Base interactions energy: -673.307
where: short stacking energy: -314.981
Base-Backbone interact. energy: -0.278
local terms energy: -377.391072
where:
bonds (distance) C4'-P energy: -65.553
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -86.134
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: -71.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -859.172018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.172018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.172018 (E_RNA)
where:
Base-Base interactions energy: -527.605
where: short stacking energy: -268.562
Base-Backbone interact. energy: -1.284
local terms energy: -330.283323
where:
bonds (distance) C4'-P energy: -76.243
bonds (distance) P-C4' energy: -90.613
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -45.382
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: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -741.238253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.238253 (E_RNA)
where:
Base-Base interactions energy: -419.311
where: short stacking energy: -213.755
Base-Backbone interact. energy: -2.529
local terms energy: -319.399085
where:
bonds (distance) C4'-P energy: -71.660
bonds (distance) P-C4' energy: -77.081
flat angles C4'-P-C4' energy: -67.808
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -50.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -626.707394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.707394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.707394 (E_RNA)
where:
Base-Base interactions energy: -366.338
where: short stacking energy: -188.789
Base-Backbone interact. energy: 1.874
local terms energy: -262.243205
where:
bonds (distance) C4'-P energy: -72.558
bonds (distance) P-C4' energy: -78.538
flat angles C4'-P-C4' energy: -74.009
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -438.531801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.531801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.531801 (E_RNA)
where:
Base-Base interactions energy: -200.206
where: short stacking energy: -133.213
Base-Backbone interact. energy: -0.633
local terms energy: -237.692219
where:
bonds (distance) C4'-P energy: -80.168
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: 9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1487.289148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.289148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.289148 (E_RNA)
where:
Base-Base interactions energy: -1008.389
where: short stacking energy: -472.671
Base-Backbone interact. energy: 1.920
local terms energy: -480.819344
where:
bonds (distance) C4'-P energy: -82.540
bonds (distance) P-C4' energy: -95.080
flat angles C4'-P-C4' energy: -101.163
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -133.125
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: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1447.376972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.376972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.376972 (E_RNA)
where:
Base-Base interactions energy: -973.812
where: short stacking energy: -435.047
Base-Backbone interact. energy: -1.714
local terms energy: -471.850809
where:
bonds (distance) C4'-P energy: -99.375
bonds (distance) P-C4' energy: -91.419
flat angles C4'-P-C4' energy: -90.707
flat angles P-C4'-P energy: -66.482
tors. eta vs tors. theta energy: -123.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1357.034259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.034259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.034259 (E_RNA)
where:
Base-Base interactions energy: -909.311
where: short stacking energy: -416.661
Base-Backbone interact. energy: -5.720
local terms energy: -442.003712
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -102.237
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -111.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1155.625804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.625804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.625804 (E_RNA)
where:
Base-Base interactions energy: -753.981
where: short stacking energy: -374.827
Base-Backbone interact. energy: -0.942
local terms energy: -400.702352
where:
bonds (distance) C4'-P energy: -71.213
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -60.422
tors. eta vs tors. theta energy: -95.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1127.952829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.952829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.952829 (E_RNA)
where:
Base-Base interactions energy: -733.500
where: short stacking energy: -347.072
Base-Backbone interact. energy: -0.566
local terms energy: -393.886692
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -80.256
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -96.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1018.761447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.761447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.761447 (E_RNA)
where:
Base-Base interactions energy: -670.549
where: short stacking energy: -308.708
Base-Backbone interact. energy: 0.327
local terms energy: -348.539252
where:
bonds (distance) C4'-P energy: -72.533
bonds (distance) P-C4' energy: -83.383
flat angles C4'-P-C4' energy: -83.933
flat angles P-C4'-P energy: -55.803
tors. eta vs tors. theta energy: -52.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -856.619752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.619752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.619752 (E_RNA)
where:
Base-Base interactions energy: -523.204
where: short stacking energy: -257.442
Base-Backbone interact. energy: -1.203
local terms energy: -332.212843
where:
bonds (distance) C4'-P energy: -71.289
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -72.750
flat angles P-C4'-P energy: -59.679
tors. eta vs tors. theta energy: -54.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -793.139886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.139886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.139886 (E_RNA)
where:
Base-Base interactions energy: -488.474
where: short stacking energy: -251.250
Base-Backbone interact. energy: 0.601
local terms energy: -305.266875
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -76.453
flat angles P-C4'-P energy: -49.308
tors. eta vs tors. theta energy: -38.368
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -606.680967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.680967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.680967 (E_RNA)
where:
Base-Base interactions energy: -340.316
where: short stacking energy: -186.238
Base-Backbone interact. energy: 0.351
local terms energy: -266.715202
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -47.321
tors. eta vs tors. theta energy: -5.829
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: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -417.223666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.223666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.223666 (E_RNA)
where:
Base-Base interactions energy: -173.193
where: short stacking energy: -117.912
Base-Backbone interact. energy: -0.870
local terms energy: -243.160393
where:
bonds (distance) C4'-P energy: -70.716
bonds (distance) P-C4' energy: -80.102
flat angles C4'-P-C4' energy: -62.020
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: 2.898
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1514.627237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.627237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.627237 (E_RNA)
where:
Base-Base interactions energy: -1057.176
where: short stacking energy: -478.705
Base-Backbone interact. energy: 1.058
local terms energy: -458.509650
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -94.013
flat angles C4'-P-C4' energy: -94.211
flat angles P-C4'-P energy: -60.269
tors. eta vs tors. theta energy: -129.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1454.496711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.496711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.496711 (E_RNA)
where:
Base-Base interactions energy: -967.138
where: short stacking energy: -445.217
Base-Backbone interact. energy: -1.879
local terms energy: -485.479975
where:
bonds (distance) C4'-P energy: -88.797
bonds (distance) P-C4' energy: -95.109
flat angles C4'-P-C4' energy: -98.578
flat angles P-C4'-P energy: -73.102
tors. eta vs tors. theta energy: -129.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1348.652934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.652934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.652934 (E_RNA)
where:
Base-Base interactions energy: -910.350
where: short stacking energy: -438.065
Base-Backbone interact. energy: -0.357
local terms energy: -437.946110
where:
bonds (distance) C4'-P energy: -79.154
bonds (distance) P-C4' energy: -75.744
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -66.852
tors. eta vs tors. theta energy: -115.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1194.448373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.448373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.448373 (E_RNA)
where:
Base-Base interactions energy: -772.728
where: short stacking energy: -388.488
Base-Backbone interact. energy: 3.310
local terms energy: -425.030697
where:
bonds (distance) C4'-P energy: -82.449
bonds (distance) P-C4' energy: -82.693
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -66.578
tors. eta vs tors. theta energy: -100.126
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: 36
Temperature: 1.100000
Total energy: -1150.755194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.755194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.755194 (E_RNA)
where:
Base-Base interactions energy: -757.906
where: short stacking energy: -359.820
Base-Backbone interact. energy: -1.699
local terms energy: -391.149492
where:
bonds (distance) C4'-P energy: -79.312
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -89.219
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -88.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1059.071202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.071202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.071202 (E_RNA)
where:
Base-Base interactions energy: -685.072
where: short stacking energy: -297.218
Base-Backbone interact. energy: 0.446
local terms energy: -374.445237
where:
bonds (distance) C4'-P energy: -76.189
bonds (distance) P-C4' energy: -88.034
flat angles C4'-P-C4' energy: -86.360
flat angles P-C4'-P energy: -58.531
tors. eta vs tors. theta energy: -65.332
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: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -850.482394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.482394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.482394 (E_RNA)
where:
Base-Base interactions energy: -510.636
where: short stacking energy: -272.038
Base-Backbone interact. energy: -1.467
local terms energy: -338.379257
where:
bonds (distance) C4'-P energy: -72.047
bonds (distance) P-C4' energy: -88.105
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -46.020
tors. eta vs tors. theta energy: -49.257
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -816.583217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.583217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.583217 (E_RNA)
where:
Base-Base interactions energy: -497.633
where: short stacking energy: -249.921
Base-Backbone interact. energy: 2.981
local terms energy: -321.931022
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -51.353
tors. eta vs tors. theta energy: -55.394
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: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -616.137408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.137408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.137408 (E_RNA)
where:
Base-Base interactions energy: -346.502
where: short stacking energy: -179.332
Base-Backbone interact. energy: 0.834
local terms energy: -270.469258
where:
bonds (distance) C4'-P energy: -63.950
bonds (distance) P-C4' energy: -84.755
flat angles C4'-P-C4' energy: -65.054
flat angles P-C4'-P energy: -45.520
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -470.624610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.624610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.624610 (E_RNA)
where:
Base-Base interactions energy: -223.675
where: short stacking energy: -130.013
Base-Backbone interact. energy: 0.028
local terms energy: -246.977291
where:
bonds (distance) C4'-P energy: -62.977
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -79.035
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: 2.139
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: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1525.659695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.659695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.659695 (E_RNA)
where:
Base-Base interactions energy: -1037.607
where: short stacking energy: -474.091
Base-Backbone interact. energy: -1.719
local terms energy: -486.332871
where:
bonds (distance) C4'-P energy: -96.794
bonds (distance) P-C4' energy: -81.513
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -74.252
tors. eta vs tors. theta energy: -130.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1452.082178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.082178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.082178 (E_RNA)
where:
Base-Base interactions energy: -982.770
where: short stacking energy: -457.640
Base-Backbone interact. energy: -1.610
local terms energy: -467.701590
where:
bonds (distance) C4'-P energy: -91.947
bonds (distance) P-C4' energy: -92.870
flat angles C4'-P-C4' energy: -105.987
flat angles P-C4'-P energy: -59.417
tors. eta vs tors. theta energy: -117.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1345.984137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.984137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.984137 (E_RNA)
where:
Base-Base interactions energy: -893.968
where: short stacking energy: -426.325
Base-Backbone interact. energy: -1.821
local terms energy: -450.194889
where:
bonds (distance) C4'-P energy: -86.799
bonds (distance) P-C4' energy: -87.743
flat angles C4'-P-C4' energy: -96.976
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -113.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1199.997170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.997170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.997170 (E_RNA)
where:
Base-Base interactions energy: -768.313
where: short stacking energy: -369.519
Base-Backbone interact. energy: -2.283
local terms energy: -429.400952
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -89.886
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -95.409
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: 37
Temperature: 1.100000
Total energy: -1153.845617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.845617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.845617 (E_RNA)
where:
Base-Base interactions energy: -742.807
where: short stacking energy: -372.036
Base-Backbone interact. energy: -1.260
local terms energy: -409.778974
where:
bonds (distance) C4'-P energy: -79.558
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -84.677
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: -97.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1064.493160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.493160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.493160 (E_RNA)
where:
Base-Base interactions energy: -715.190
where: short stacking energy: -327.534
Base-Backbone interact. energy: 3.309
local terms energy: -352.612647
where:
bonds (distance) C4'-P energy: -70.098
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -82.911
flat angles P-C4'-P energy: -50.231
tors. eta vs tors. theta energy: -72.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -874.815717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.815717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.815717 (E_RNA)
where:
Base-Base interactions energy: -549.840
where: short stacking energy: -291.818
Base-Backbone interact. energy: -4.109
local terms energy: -320.866882
where:
bonds (distance) C4'-P energy: -73.837
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -61.823
flat angles P-C4'-P energy: -50.133
tors. eta vs tors. theta energy: -64.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -788.747980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.747980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.747980 (E_RNA)
where:
Base-Base interactions energy: -471.423
where: short stacking energy: -239.800
Base-Backbone interact. energy: 0.378
local terms energy: -317.703653
where:
bonds (distance) C4'-P energy: -74.379
bonds (distance) P-C4' energy: -83.302
flat angles C4'-P-C4' energy: -78.879
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -29.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -613.485561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.485561 (E_RNA)
where:
Base-Base interactions energy: -337.889
where: short stacking energy: -179.696
Base-Backbone interact. energy: 1.472
local terms energy: -277.068071
where:
bonds (distance) C4'-P energy: -69.338
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -82.385
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -412.549931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.549931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.549931 (E_RNA)
where:
Base-Base interactions energy: -197.030
where: short stacking energy: -147.042
Base-Backbone interact. energy: 1.202
local terms energy: -216.722689
where:
bonds (distance) C4'-P energy: -71.515
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -61.576
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: 12.488
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: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1545.387072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.387072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.387072 (E_RNA)
where:
Base-Base interactions energy: -1044.193
where: short stacking energy: -492.064
Base-Backbone interact. energy: -2.624
local terms energy: -498.570542
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -101.127
flat angles P-C4'-P energy: -60.446
tors. eta vs tors. theta energy: -145.158
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1471.148675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.148675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.148675 (E_RNA)
where:
Base-Base interactions energy: -1007.347
where: short stacking energy: -465.228
Base-Backbone interact. energy: -0.546
local terms energy: -463.256052
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -86.802
flat angles C4'-P-C4' energy: -94.703
flat angles P-C4'-P energy: -65.633
tors. eta vs tors. theta energy: -132.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1358.342642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.342642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.342642 (E_RNA)
where:
Base-Base interactions energy: -910.983
where: short stacking energy: -414.476
Base-Backbone interact. energy: 0.477
local terms energy: -447.836359
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -87.388
flat angles C4'-P-C4' energy: -89.768
flat angles P-C4'-P energy: -75.081
tors. eta vs tors. theta energy: -110.333
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1157.418555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.418555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.418555 (E_RNA)
where:
Base-Base interactions energy: -742.190
where: short stacking energy: -367.943
Base-Backbone interact. energy: -3.146
local terms energy: -412.082902
where:
bonds (distance) C4'-P energy: -87.149
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -59.767
tors. eta vs tors. theta energy: -88.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1144.773549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.773549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.773549 (E_RNA)
where:
Base-Base interactions energy: -765.368
where: short stacking energy: -335.956
Base-Backbone interact. energy: -1.791
local terms energy: -377.614763
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -68.170
flat angles C4'-P-C4' energy: -94.843
flat angles P-C4'-P energy: -56.540
tors. eta vs tors. theta energy: -72.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1127.249343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.249343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.249343 (E_RNA)
where:
Base-Base interactions energy: -743.726
where: short stacking energy: -337.229
Base-Backbone interact. energy: -2.544
local terms energy: -380.978875
where:
bonds (distance) C4'-P energy: -82.184
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -65.582
tors. eta vs tors. theta energy: -74.006
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: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -918.990567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.990567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.990567 (E_RNA)
where:
Base-Base interactions energy: -588.744
where: short stacking energy: -291.160
Base-Backbone interact. energy: 1.608
local terms energy: -331.855500
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -72.169
flat angles C4'-P-C4' energy: -85.700
flat angles P-C4'-P energy: -47.841
tors. eta vs tors. theta energy: -58.304
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: 38
Temperature: 1.250000
Total energy: -746.793178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.793178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.793178 (E_RNA)
where:
Base-Base interactions energy: -435.535
where: short stacking energy: -216.307
Base-Backbone interact. energy: -2.666
local terms energy: -308.592691
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -69.102
flat angles C4'-P-C4' energy: -77.433
flat angles P-C4'-P energy: -51.142
tors. eta vs tors. theta energy: -37.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -659.960898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.960898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.960898 (E_RNA)
where:
Base-Base interactions energy: -397.747
where: short stacking energy: -211.339
Base-Backbone interact. energy: 2.538
local terms energy: -264.751361
where:
bonds (distance) C4'-P energy: -66.194
bonds (distance) P-C4' energy: -74.074
flat angles C4'-P-C4' energy: -69.528
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -363.969752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.969752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.969752 (E_RNA)
where:
Base-Base interactions energy: -135.713
where: short stacking energy: -100.971
Base-Backbone interact. energy: 3.991
local terms energy: -232.247425
where:
bonds (distance) C4'-P energy: -65.794
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -46.645
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: 8.190
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: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1559.930282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.930282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.930282 (E_RNA)
where:
Base-Base interactions energy: -1063.001
where: short stacking energy: -497.408
Base-Backbone interact. energy: 0.596
local terms energy: -497.525141
where:
bonds (distance) C4'-P energy: -95.514
bonds (distance) P-C4' energy: -89.167
flat angles C4'-P-C4' energy: -99.403
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -142.085
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1434.663686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.663686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.663686 (E_RNA)
where:
Base-Base interactions energy: -961.845
where: short stacking energy: -458.376
Base-Backbone interact. energy: 1.921
local terms energy: -474.739620
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -87.829
flat angles C4'-P-C4' energy: -107.353
flat angles P-C4'-P energy: -68.224
tors. eta vs tors. theta energy: -123.142
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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1390.363219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.363219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.363219 (E_RNA)
where:
Base-Base interactions energy: -947.760
where: short stacking energy: -435.022
Base-Backbone interact. energy: 0.073
local terms energy: -442.675907
where:
bonds (distance) C4'-P energy: -89.413
bonds (distance) P-C4' energy: -75.253
flat angles C4'-P-C4' energy: -92.548
flat angles P-C4'-P energy: -72.129
tors. eta vs tors. theta energy: -113.333
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: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1185.847028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.847028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.847028 (E_RNA)
where:
Base-Base interactions energy: -784.276
where: short stacking energy: -357.020
Base-Backbone interact. energy: 0.604
local terms energy: -402.174914
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -91.769
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -84.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1124.746290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.746290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.746290 (E_RNA)
where:
Base-Base interactions energy: -743.117
where: short stacking energy: -320.610
Base-Backbone interact. energy: -2.349
local terms energy: -379.280008
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -73.763
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: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1107.654311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.654311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.654311 (E_RNA)
where:
Base-Base interactions energy: -726.544
where: short stacking energy: -335.470
Base-Backbone interact. energy: 0.009
local terms energy: -381.119398
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -86.835
flat angles C4'-P-C4' energy: -81.202
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -89.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -909.122954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.122954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.122954 (E_RNA)
where:
Base-Base interactions energy: -556.308
where: short stacking energy: -278.714
Base-Backbone interact. energy: 1.334
local terms energy: -354.148575
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -72.387
flat angles C4'-P-C4' energy: -93.976
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -54.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -735.077592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.077592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.077592 (E_RNA)
where:
Base-Base interactions energy: -425.183
where: short stacking energy: -223.491
Base-Backbone interact. energy: -1.772
local terms energy: -308.122915
where:
bonds (distance) C4'-P energy: -76.130
bonds (distance) P-C4' energy: -81.186
flat angles C4'-P-C4' energy: -78.906
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -23.857
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -649.182344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.182344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.182344 (E_RNA)
where:
Base-Base interactions energy: -361.819
where: short stacking energy: -197.247
Base-Backbone interact. energy: -3.546
local terms energy: -283.817667
where:
bonds (distance) C4'-P energy: -70.216
bonds (distance) P-C4' energy: -72.171
flat angles C4'-P-C4' energy: -65.108
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -31.988
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: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -426.916611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.916611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.916611 (E_RNA)
where:
Base-Base interactions energy: -190.918
where: short stacking energy: -130.762
Base-Backbone interact. energy: 0.555
local terms energy: -236.553325
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -73.758
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: 7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1546.201311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.201311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.201311 (E_RNA)
where:
Base-Base interactions energy: -1043.233
where: short stacking energy: -504.946
Base-Backbone interact. energy: -3.150
local terms energy: -499.818765
where:
bonds (distance) C4'-P energy: -95.966
bonds (distance) P-C4' energy: -86.955
flat angles C4'-P-C4' energy: -108.742
flat angles P-C4'-P energy: -71.194
tors. eta vs tors. theta energy: -136.961
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: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1420.025781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.025781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.025781 (E_RNA)
where:
Base-Base interactions energy: -960.477
where: short stacking energy: -453.183
Base-Backbone interact. energy: -0.824
local terms energy: -458.725634
where:
bonds (distance) C4'-P energy: -94.802
bonds (distance) P-C4' energy: -69.656
flat angles C4'-P-C4' energy: -99.318
flat angles P-C4'-P energy: -67.475
tors. eta vs tors. theta energy: -127.474
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1364.270680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.270680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.270680 (E_RNA)
where:
Base-Base interactions energy: -917.351
where: short stacking energy: -437.628
Base-Backbone interact. energy: -1.434
local terms energy: -445.485597
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -91.895
flat angles P-C4'-P energy: -61.642
tors. eta vs tors. theta energy: -124.110
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1188.465757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.465757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.465757 (E_RNA)
where:
Base-Base interactions energy: -773.556
where: short stacking energy: -363.147
Base-Backbone interact. energy: -1.702
local terms energy: -413.208095
where:
bonds (distance) C4'-P energy: -83.994
bonds (distance) P-C4' energy: -79.286
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -63.069
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: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1158.672064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.672064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.672064 (E_RNA)
where:
Base-Base interactions energy: -740.591
where: short stacking energy: -344.224
Base-Backbone interact. energy: -1.204
local terms energy: -416.877159
where:
bonds (distance) C4'-P energy: -81.928
bonds (distance) P-C4' energy: -86.736
flat angles C4'-P-C4' energy: -91.021
flat angles P-C4'-P energy: -54.600
tors. eta vs tors. theta energy: -102.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1025.880482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.880482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.880482 (E_RNA)
where:
Base-Base interactions energy: -648.851
where: short stacking energy: -320.561
Base-Backbone interact. energy: -0.752
local terms energy: -376.277869
where:
bonds (distance) C4'-P energy: -83.682
bonds (distance) P-C4' energy: -77.936
flat angles C4'-P-C4' energy: -79.907
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -78.939
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: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -895.998934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.998934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.998934 (E_RNA)
where:
Base-Base interactions energy: -545.508
where: short stacking energy: -294.789
Base-Backbone interact. energy: -1.191
local terms energy: -349.299209
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -77.858
flat angles C4'-P-C4' energy: -83.270
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -71.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -702.325932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.325932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.325932 (E_RNA)
where:
Base-Base interactions energy: -413.666
where: short stacking energy: -222.928
Base-Backbone interact. energy: 2.487
local terms energy: -291.146860
where:
bonds (distance) C4'-P energy: -65.583
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -23.795
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: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -626.623096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.623096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.623096 (E_RNA)
where:
Base-Base interactions energy: -347.825
where: short stacking energy: -205.449
Base-Backbone interact. energy: 2.578
local terms energy: -281.376598
where:
bonds (distance) C4'-P energy: -62.129
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -23.003
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: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -372.949585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.949585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.949585 (E_RNA)
where:
Base-Base interactions energy: -156.376
where: short stacking energy: -125.981
Base-Backbone interact. energy: 4.235
local terms energy: -220.808564
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -89.607
flat angles C4'-P-C4' energy: -41.668
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: 14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1528.542584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.542584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.542584 (E_RNA)
where:
Base-Base interactions energy: -1024.847
where: short stacking energy: -484.086
Base-Backbone interact. energy: 1.365
local terms energy: -505.061201
where:
bonds (distance) C4'-P energy: -89.637
bonds (distance) P-C4' energy: -98.427
flat angles C4'-P-C4' energy: -106.637
flat angles P-C4'-P energy: -70.142
tors. eta vs tors. theta energy: -140.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1436.377875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.377875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.377875 (E_RNA)
where:
Base-Base interactions energy: -973.467
where: short stacking energy: -449.665
Base-Backbone interact. energy: -0.865
local terms energy: -462.046392
where:
bonds (distance) C4'-P energy: -89.599
bonds (distance) P-C4' energy: -94.359
flat angles C4'-P-C4' energy: -97.129
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -124.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1332.032453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.032453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.032453 (E_RNA)
where:
Base-Base interactions energy: -904.033
where: short stacking energy: -384.805
Base-Backbone interact. energy: -2.615
local terms energy: -425.384285
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -92.562
flat angles P-C4'-P energy: -66.990
tors. eta vs tors. theta energy: -100.951
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1215.994501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.994501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.994501 (E_RNA)
where:
Base-Base interactions energy: -811.556
where: short stacking energy: -365.711
Base-Backbone interact. energy: 1.981
local terms energy: -406.419415
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -83.389
flat angles C4'-P-C4' energy: -83.055
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -90.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1154.476257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.476257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.476257 (E_RNA)
where:
Base-Base interactions energy: -754.248
where: short stacking energy: -344.609
Base-Backbone interact. energy: -3.675
local terms energy: -396.553245
where:
bonds (distance) C4'-P energy: -77.931
bonds (distance) P-C4' energy: -90.760
flat angles C4'-P-C4' energy: -76.895
flat angles P-C4'-P energy: -71.899
tors. eta vs tors. theta energy: -79.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1044.737115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.737115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.737115 (E_RNA)
where:
Base-Base interactions energy: -693.043
where: short stacking energy: -323.362
Base-Backbone interact. energy: -1.541
local terms energy: -350.152854
where:
bonds (distance) C4'-P energy: -80.858
bonds (distance) P-C4' energy: -77.852
flat angles C4'-P-C4' energy: -80.864
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -65.830
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: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -886.724817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.724817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.724817 (E_RNA)
where:
Base-Base interactions energy: -530.127
where: short stacking energy: -286.363
Base-Backbone interact. energy: -1.414
local terms energy: -355.183645
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -76.874
flat angles C4'-P-C4' energy: -85.624
flat angles P-C4'-P energy: -53.156
tors. eta vs tors. theta energy: -59.329
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: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -787.949218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.949218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.949218 (E_RNA)
where:
Base-Base interactions energy: -480.848
where: short stacking energy: -245.757
Base-Backbone interact. energy: 0.715
local terms energy: -307.816418
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -84.062
flat angles C4'-P-C4' energy: -61.982
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -44.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -570.059866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.059866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.059866 (E_RNA)
where:
Base-Base interactions energy: -305.681
where: short stacking energy: -179.828
Base-Backbone interact. energy: 1.007
local terms energy: -265.385919
where:
bonds (distance) C4'-P energy: -71.710
bonds (distance) P-C4' energy: -78.353
flat angles C4'-P-C4' energy: -71.408
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -396.801231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.801231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.801231 (E_RNA)
where:
Base-Base interactions energy: -128.736
where: short stacking energy: -125.178
Base-Backbone interact. energy: -1.111
local terms energy: -266.955011
where:
bonds (distance) C4'-P energy: -72.266
bonds (distance) P-C4' energy: -69.259
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -47.317
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1482.370144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.370144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.370144 (E_RNA)
where:
Base-Base interactions energy: -972.308
where: short stacking energy: -470.914
Base-Backbone interact. energy: -0.612
local terms energy: -509.450580
where:
bonds (distance) C4'-P energy: -100.524
bonds (distance) P-C4' energy: -98.284
flat angles C4'-P-C4' energy: -107.818
flat angles P-C4'-P energy: -74.842
tors. eta vs tors. theta energy: -127.983
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: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1527.271646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.271646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.271646 (E_RNA)
where:
Base-Base interactions energy: -1033.758
where: short stacking energy: -500.293
Base-Backbone interact. energy: -0.774
local terms energy: -492.739915
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -100.738
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -137.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1326.127962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.127962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.127962 (E_RNA)
where:
Base-Base interactions energy: -890.715
where: short stacking energy: -417.463
Base-Backbone interact. energy: 2.557
local terms energy: -437.970056
where:
bonds (distance) C4'-P energy: -77.254
bonds (distance) P-C4' energy: -87.197
flat angles C4'-P-C4' energy: -103.808
flat angles P-C4'-P energy: -57.784
tors. eta vs tors. theta energy: -111.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1207.836477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.836477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.836477 (E_RNA)
where:
Base-Base interactions energy: -806.923
where: short stacking energy: -389.603
Base-Backbone interact. energy: -2.254
local terms energy: -398.659660
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -86.775
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -50.953
tors. eta vs tors. theta energy: -95.596
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1155.670506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.670506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.670506 (E_RNA)
where:
Base-Base interactions energy: -763.672
where: short stacking energy: -374.132
Base-Backbone interact. energy: -1.304
local terms energy: -390.694983
where:
bonds (distance) C4'-P energy: -72.969
bonds (distance) P-C4' energy: -76.260
flat angles C4'-P-C4' energy: -93.456
flat angles P-C4'-P energy: -59.949
tors. eta vs tors. theta energy: -88.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1093.495643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.495643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.495643 (E_RNA)
where:
Base-Base interactions energy: -727.416
where: short stacking energy: -330.202
Base-Backbone interact. energy: -2.600
local terms energy: -363.479648
where:
bonds (distance) C4'-P energy: -74.643
bonds (distance) P-C4' energy: -79.107
flat angles C4'-P-C4' energy: -80.947
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: -79.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -851.418382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.418382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.418382 (E_RNA)
where:
Base-Base interactions energy: -511.913
where: short stacking energy: -282.154
Base-Backbone interact. energy: -2.003
local terms energy: -337.502730
where:
bonds (distance) C4'-P energy: -69.895
bonds (distance) P-C4' energy: -86.884
flat angles C4'-P-C4' energy: -78.285
flat angles P-C4'-P energy: -55.011
tors. eta vs tors. theta energy: -47.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -838.962028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.962028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.962028 (E_RNA)
where:
Base-Base interactions energy: -527.986
where: short stacking energy: -265.113
Base-Backbone interact. energy: 1.370
local terms energy: -312.346010
where:
bonds (distance) C4'-P energy: -76.222
bonds (distance) P-C4' energy: -81.437
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -636.327005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.327005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.327005 (E_RNA)
where:
Base-Base interactions energy: -366.031
where: short stacking energy: -202.710
Base-Backbone interact. energy: 1.781
local terms energy: -272.077500
where:
bonds (distance) C4'-P energy: -81.477
bonds (distance) P-C4' energy: -71.796
flat angles C4'-P-C4' energy: -66.369
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -17.982
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: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -417.419841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.419841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.419841 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -140.778
Base-Backbone interact. energy: 3.148
local terms energy: -270.292124
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -79.438
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1487.271095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.271095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.271095 (E_RNA)
where:
Base-Base interactions energy: -1016.204
where: short stacking energy: -454.298
Base-Backbone interact. energy: -2.599
local terms energy: -468.468004
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -101.569
flat angles P-C4'-P energy: -61.167
tors. eta vs tors. theta energy: -125.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1541.728946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.728946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.728946 (E_RNA)
where:
Base-Base interactions energy: -1018.882
where: short stacking energy: -494.820
Base-Backbone interact. energy: -2.931
local terms energy: -519.915368
where:
bonds (distance) C4'-P energy: -99.249
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -105.578
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -147.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1336.617852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.617852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.617852 (E_RNA)
where:
Base-Base interactions energy: -897.583
where: short stacking energy: -409.511
Base-Backbone interact. energy: -2.092
local terms energy: -436.942639
where:
bonds (distance) C4'-P energy: -86.776
bonds (distance) P-C4' energy: -82.733
flat angles C4'-P-C4' energy: -92.894
flat angles P-C4'-P energy: -56.295
tors. eta vs tors. theta energy: -118.244
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: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1211.893932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.893932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.893932 (E_RNA)
where:
Base-Base interactions energy: -809.902
where: short stacking energy: -370.223
Base-Backbone interact. energy: -1.108
local terms energy: -400.884301
where:
bonds (distance) C4'-P energy: -80.447
bonds (distance) P-C4' energy: -85.240
flat angles C4'-P-C4' energy: -89.336
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -94.086
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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1191.789338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.789338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.789338 (E_RNA)
where:
Base-Base interactions energy: -782.038
where: short stacking energy: -399.386
Base-Backbone interact. energy: -4.142
local terms energy: -405.609326
where:
bonds (distance) C4'-P energy: -74.795
bonds (distance) P-C4' energy: -83.806
flat angles C4'-P-C4' energy: -85.819
flat angles P-C4'-P energy: -57.589
tors. eta vs tors. theta energy: -103.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1061.018139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.018139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.018139 (E_RNA)
where:
Base-Base interactions energy: -690.345
where: short stacking energy: -302.048
Base-Backbone interact. energy: -2.370
local terms energy: -368.302872
where:
bonds (distance) C4'-P energy: -78.906
bonds (distance) P-C4' energy: -83.774
flat angles C4'-P-C4' energy: -74.109
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -77.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -811.498453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.498453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.498453 (E_RNA)
where:
Base-Base interactions energy: -470.223
where: short stacking energy: -237.390
Base-Backbone interact. energy: -2.421
local terms energy: -338.854735
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -87.200
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -55.014
tors. eta vs tors. theta energy: -48.558
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: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -794.267686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.267686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.267686 (E_RNA)
where:
Base-Base interactions energy: -501.663
where: short stacking energy: -248.099
Base-Backbone interact. energy: 11.242
local terms energy: -303.846209
where:
bonds (distance) C4'-P energy: -61.524
bonds (distance) P-C4' energy: -69.584
flat angles C4'-P-C4' energy: -74.984
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: -51.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -630.051494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.051494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.051494 (E_RNA)
where:
Base-Base interactions energy: -384.688
where: short stacking energy: -189.672
Base-Backbone interact. energy: 1.822
local terms energy: -247.185660
where:
bonds (distance) C4'-P energy: -76.221
bonds (distance) P-C4' energy: -66.421
flat angles C4'-P-C4' energy: -57.389
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -381.899289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.899289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.899289 (E_RNA)
where:
Base-Base interactions energy: -131.941
where: short stacking energy: -110.268
Base-Backbone interact. energy: 0.217
local terms energy: -250.176060
where:
bonds (distance) C4'-P energy: -63.572
bonds (distance) P-C4' energy: -79.449
flat angles C4'-P-C4' energy: -80.803
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: 11.652
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: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1544.642566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.642566 (E_RNA)
where:
Base-Base interactions energy: -1038.109
where: short stacking energy: -480.099
Base-Backbone interact. energy: -3.044
local terms energy: -503.489900
where:
bonds (distance) C4'-P energy: -96.534
bonds (distance) P-C4' energy: -93.349
flat angles C4'-P-C4' energy: -108.422
flat angles P-C4'-P energy: -74.160
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1484.272347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.272347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.272347 (E_RNA)
where:
Base-Base interactions energy: -1016.615
where: short stacking energy: -458.017
Base-Backbone interact. energy: 1.303
local terms energy: -468.960462
where:
bonds (distance) C4'-P energy: -90.120
bonds (distance) P-C4' energy: -89.872
flat angles C4'-P-C4' energy: -106.684
flat angles P-C4'-P energy: -56.166
tors. eta vs tors. theta energy: -126.118
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1357.276804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.276804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.276804 (E_RNA)
where:
Base-Base interactions energy: -927.505
where: short stacking energy: -432.537
Base-Backbone interact. energy: 0.504
local terms energy: -430.275397
where:
bonds (distance) C4'-P energy: -78.327
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -100.633
flat angles P-C4'-P energy: -57.768
tors. eta vs tors. theta energy: -108.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1221.441903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.441903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.441903 (E_RNA)
where:
Base-Base interactions energy: -807.535
where: short stacking energy: -368.734
Base-Backbone interact. energy: -1.077
local terms energy: -412.829063
where:
bonds (distance) C4'-P energy: -85.169
bonds (distance) P-C4' energy: -72.987
flat angles C4'-P-C4' energy: -96.328
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -93.049
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: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1172.457394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.457394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.457394 (E_RNA)
where:
Base-Base interactions energy: -782.353
where: short stacking energy: -378.417
Base-Backbone interact. energy: 0.599
local terms energy: -390.703021
where:
bonds (distance) C4'-P energy: -78.547
bonds (distance) P-C4' energy: -79.498
flat angles C4'-P-C4' energy: -86.263
flat angles P-C4'-P energy: -52.044
tors. eta vs tors. theta energy: -94.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1044.763288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.763288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.763288 (E_RNA)
where:
Base-Base interactions energy: -650.648
where: short stacking energy: -297.498
Base-Backbone interact. energy: -3.742
local terms energy: -390.373032
where:
bonds (distance) C4'-P energy: -80.561
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -93.523
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -69.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -877.938741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.938741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.938741 (E_RNA)
where:
Base-Base interactions energy: -583.741
where: short stacking energy: -290.737
Base-Backbone interact. energy: -1.483
local terms energy: -292.715595
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -87.229
flat angles C4'-P-C4' energy: -64.960
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -54.455
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: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -783.790158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.790158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.790158 (E_RNA)
where:
Base-Base interactions energy: -457.735
where: short stacking energy: -215.566
Base-Backbone interact. energy: -2.715
local terms energy: -323.339900
where:
bonds (distance) C4'-P energy: -72.400
bonds (distance) P-C4' energy: -73.915
flat angles C4'-P-C4' energy: -80.200
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -50.576
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -668.595575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.595575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.595575 (E_RNA)
where:
Base-Base interactions energy: -362.182
where: short stacking energy: -193.122
Base-Backbone interact. energy: 6.144
local terms energy: -312.557255
where:
bonds (distance) C4'-P energy: -78.514
bonds (distance) P-C4' energy: -89.190
flat angles C4'-P-C4' energy: -65.786
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -29.929
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: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -378.571063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.571063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.571063 (E_RNA)
where:
Base-Base interactions energy: -146.320
where: short stacking energy: -95.826
Base-Backbone interact. energy: -0.066
local terms energy: -232.184613
where:
bonds (distance) C4'-P energy: -56.421
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -67.482
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: 10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1525.978106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.978106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.978106 (E_RNA)
where:
Base-Base interactions energy: -1024.764
where: short stacking energy: -471.269
Base-Backbone interact. energy: -2.674
local terms energy: -498.540930
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -85.448
flat angles C4'-P-C4' energy: -111.101
flat angles P-C4'-P energy: -70.682
tors. eta vs tors. theta energy: -142.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1467.232714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.232714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.232714 (E_RNA)
where:
Base-Base interactions energy: -1012.120
where: short stacking energy: -455.376
Base-Backbone interact. energy: 3.224
local terms energy: -458.336249
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -92.537
flat angles C4'-P-C4' energy: -94.063
flat angles P-C4'-P energy: -63.301
tors. eta vs tors. theta energy: -126.590
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: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1363.909836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.909836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.909836 (E_RNA)
where:
Base-Base interactions energy: -916.980
where: short stacking energy: -453.407
Base-Backbone interact. energy: 0.090
local terms energy: -447.020311
where:
bonds (distance) C4'-P energy: -92.137
bonds (distance) P-C4' energy: -94.640
flat angles C4'-P-C4' energy: -87.455
flat angles P-C4'-P energy: -55.245
tors. eta vs tors. theta energy: -117.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1239.394842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.394842 (E_RNA)
where:
Base-Base interactions energy: -823.095
where: short stacking energy: -388.166
Base-Backbone interact. energy: -1.450
local terms energy: -414.849678
where:
bonds (distance) C4'-P energy: -76.639
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -99.180
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: -87.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1148.597805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.597805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.597805 (E_RNA)
where:
Base-Base interactions energy: -734.188
where: short stacking energy: -375.235
Base-Backbone interact. energy: -1.192
local terms energy: -413.217844
where:
bonds (distance) C4'-P energy: -81.272
bonds (distance) P-C4' energy: -89.915
flat angles C4'-P-C4' energy: -87.071
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -95.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1064.888718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.888718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.888718 (E_RNA)
where:
Base-Base interactions energy: -666.229
where: short stacking energy: -324.145
Base-Backbone interact. energy: 2.297
local terms energy: -400.956653
where:
bonds (distance) C4'-P energy: -85.163
bonds (distance) P-C4' energy: -72.473
flat angles C4'-P-C4' energy: -87.883
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -91.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -914.632072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.632072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.632072 (E_RNA)
where:
Base-Base interactions energy: -583.168
where: short stacking energy: -305.546
Base-Backbone interact. energy: 0.298
local terms energy: -331.762557
where:
bonds (distance) C4'-P energy: -69.546
bonds (distance) P-C4' energy: -87.387
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -56.485
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -829.680430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.680430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.680430 (E_RNA)
where:
Base-Base interactions energy: -511.088
where: short stacking energy: -223.837
Base-Backbone interact. energy: -1.121
local terms energy: -317.471262
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -82.670
flat angles C4'-P-C4' energy: -80.369
flat angles P-C4'-P energy: -51.277
tors. eta vs tors. theta energy: -27.789
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: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -603.078415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.078415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.078415 (E_RNA)
where:
Base-Base interactions energy: -320.607
where: short stacking energy: -178.362
Base-Backbone interact. energy: -0.556
local terms energy: -281.915118
where:
bonds (distance) C4'-P energy: -63.200
bonds (distance) P-C4' energy: -84.576
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -393.328435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.328435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.328435 (E_RNA)
where:
Base-Base interactions energy: -138.149
where: short stacking energy: -111.573
Base-Backbone interact. energy: -0.651
local terms energy: -254.528474
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -74.102
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: 9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1533.637780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.637780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.637780 (E_RNA)
where:
Base-Base interactions energy: -1023.515
where: short stacking energy: -497.674
Base-Backbone interact. energy: -2.672
local terms energy: -507.450807
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -95.106
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -70.268
tors. eta vs tors. theta energy: -146.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1472.215420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.215420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.215420 (E_RNA)
where:
Base-Base interactions energy: -987.456
where: short stacking energy: -428.878
Base-Backbone interact. energy: -0.485
local terms energy: -484.274234
where:
bonds (distance) C4'-P energy: -89.735
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -76.949
tors. eta vs tors. theta energy: -125.675
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: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1370.583875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.583875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.583875 (E_RNA)
where:
Base-Base interactions energy: -914.585
where: short stacking energy: -435.732
Base-Backbone interact. energy: -4.088
local terms energy: -451.910371
where:
bonds (distance) C4'-P energy: -83.272
bonds (distance) P-C4' energy: -93.711
flat angles C4'-P-C4' energy: -94.940
flat angles P-C4'-P energy: -73.200
tors. eta vs tors. theta energy: -106.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1209.559204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.559204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.559204 (E_RNA)
where:
Base-Base interactions energy: -800.266
where: short stacking energy: -379.060
Base-Backbone interact. energy: -2.847
local terms energy: -406.446345
where:
bonds (distance) C4'-P energy: -83.107
bonds (distance) P-C4' energy: -71.372
flat angles C4'-P-C4' energy: -100.818
flat angles P-C4'-P energy: -62.435
tors. eta vs tors. theta energy: -88.715
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: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1144.082155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.082155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.082155 (E_RNA)
where:
Base-Base interactions energy: -733.377
where: short stacking energy: -347.871
Base-Backbone interact. energy: 1.900
local terms energy: -412.605436
where:
bonds (distance) C4'-P energy: -66.990
bonds (distance) P-C4' energy: -93.381
flat angles C4'-P-C4' energy: -92.067
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -93.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1086.713509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.713509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.713509 (E_RNA)
where:
Base-Base interactions energy: -696.219
where: short stacking energy: -329.836
Base-Backbone interact. energy: -2.751
local terms energy: -387.743686
where:
bonds (distance) C4'-P energy: -80.486
bonds (distance) P-C4' energy: -86.606
flat angles C4'-P-C4' energy: -90.451
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -77.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -886.471915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.471915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.471915 (E_RNA)
where:
Base-Base interactions energy: -545.411
where: short stacking energy: -259.711
Base-Backbone interact. energy: -3.053
local terms energy: -338.007206
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -90.774
flat angles C4'-P-C4' energy: -74.648
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -47.202
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: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -832.551547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.551547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.551547 (E_RNA)
where:
Base-Base interactions energy: -521.529
where: short stacking energy: -251.995
Base-Backbone interact. energy: -2.205
local terms energy: -308.818387
where:
bonds (distance) C4'-P energy: -83.514
bonds (distance) P-C4' energy: -78.364
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -31.488
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: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -632.804369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.804369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.804369 (E_RNA)
where:
Base-Base interactions energy: -364.077
where: short stacking energy: -205.648
Base-Backbone interact. energy: 0.750
local terms energy: -269.477355
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -78.400
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: -17.326
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: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -422.504534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.504534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.504534 (E_RNA)
where:
Base-Base interactions energy: -167.503
where: short stacking energy: -129.211
Base-Backbone interact. energy: -2.942
local terms energy: -252.059964
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -89.550
flat angles C4'-P-C4' energy: -64.050
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: 15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1550.997228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.997228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.997228 (E_RNA)
where:
Base-Base interactions energy: -1050.612
where: short stacking energy: -498.646
Base-Backbone interact. energy: -1.524
local terms energy: -498.861244
where:
bonds (distance) C4'-P energy: -92.409
bonds (distance) P-C4' energy: -81.183
flat angles C4'-P-C4' energy: -104.423
flat angles P-C4'-P energy: -74.634
tors. eta vs tors. theta energy: -146.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1459.093275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.093275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.093275 (E_RNA)
where:
Base-Base interactions energy: -1000.559
where: short stacking energy: -455.761
Base-Backbone interact. energy: -0.925
local terms energy: -457.609604
where:
bonds (distance) C4'-P energy: -83.230
bonds (distance) P-C4' energy: -86.535
flat angles C4'-P-C4' energy: -96.476
flat angles P-C4'-P energy: -70.284
tors. eta vs tors. theta energy: -121.085
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: 3, replica: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1341.695029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.695029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.695029 (E_RNA)
where:
Base-Base interactions energy: -904.879
where: short stacking energy: -418.301
Base-Backbone interact. energy: -2.039
local terms energy: -434.777463
where:
bonds (distance) C4'-P energy: -88.830
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -95.005
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -105.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1234.126297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.126297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.126297 (E_RNA)
where:
Base-Base interactions energy: -812.644
where: short stacking energy: -365.768
Base-Backbone interact. energy: -1.818
local terms energy: -419.664888
where:
bonds (distance) C4'-P energy: -91.941
bonds (distance) P-C4' energy: -88.989
flat angles C4'-P-C4' energy: -85.024
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -91.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1160.498925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.498925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.498925 (E_RNA)
where:
Base-Base interactions energy: -767.150
where: short stacking energy: -383.854
Base-Backbone interact. energy: -1.198
local terms energy: -392.151013
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -49.183
tors. eta vs tors. theta energy: -92.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1051.034984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.034984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.034984 (E_RNA)
where:
Base-Base interactions energy: -666.861
where: short stacking energy: -324.534
Base-Backbone interact. energy: -1.075
local terms energy: -383.098974
where:
bonds (distance) C4'-P energy: -83.204
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -77.284
flat angles P-C4'-P energy: -57.606
tors. eta vs tors. theta energy: -78.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -868.928039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.928039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.928039 (E_RNA)
where:
Base-Base interactions energy: -537.525
where: short stacking energy: -265.601
Base-Backbone interact. energy: 0.225
local terms energy: -331.628057
where:
bonds (distance) C4'-P energy: -75.727
bonds (distance) P-C4' energy: -76.562
flat angles C4'-P-C4' energy: -81.622
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -50.329
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: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -835.971908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.971908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.971908 (E_RNA)
where:
Base-Base interactions energy: -499.207
where: short stacking energy: -245.749
Base-Backbone interact. energy: -0.004
local terms energy: -336.760689
where:
bonds (distance) C4'-P energy: -76.025
bonds (distance) P-C4' energy: -81.393
flat angles C4'-P-C4' energy: -82.319
flat angles P-C4'-P energy: -57.774
tors. eta vs tors. theta energy: -39.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -587.765134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.765134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.765134 (E_RNA)
where:
Base-Base interactions energy: -315.152
where: short stacking energy: -162.092
Base-Backbone interact. energy: -1.473
local terms energy: -271.140582
where:
bonds (distance) C4'-P energy: -78.911
bonds (distance) P-C4' energy: -81.430
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -2.272
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: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -428.930760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.930760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.930760 (E_RNA)
where:
Base-Base interactions energy: -185.193
where: short stacking energy: -98.129
Base-Backbone interact. energy: -3.344
local terms energy: -240.393195
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -56.380
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: 21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1568.982242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.982242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.982242 (E_RNA)
where:
Base-Base interactions energy: -1068.667
where: short stacking energy: -527.200
Base-Backbone interact. energy: -1.448
local terms energy: -498.867495
where:
bonds (distance) C4'-P energy: -91.508
bonds (distance) P-C4' energy: -88.325
flat angles C4'-P-C4' energy: -102.646
flat angles P-C4'-P energy: -76.793
tors. eta vs tors. theta energy: -139.596
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1453.972141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.972141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.972141 (E_RNA)
where:
Base-Base interactions energy: -986.254
where: short stacking energy: -463.815
Base-Backbone interact. energy: 1.240
local terms energy: -468.958671
where:
bonds (distance) C4'-P energy: -82.604
bonds (distance) P-C4' energy: -90.280
flat angles C4'-P-C4' energy: -104.903
flat angles P-C4'-P energy: -65.897
tors. eta vs tors. theta energy: -125.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1348.888406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.888406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.888406 (E_RNA)
where:
Base-Base interactions energy: -912.465
where: short stacking energy: -425.450
Base-Backbone interact. energy: -0.759
local terms energy: -435.664147
where:
bonds (distance) C4'-P energy: -84.884
bonds (distance) P-C4' energy: -84.275
flat angles C4'-P-C4' energy: -91.015
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -114.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1255.547155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.547155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.547155 (E_RNA)
where:
Base-Base interactions energy: -832.581
where: short stacking energy: -363.825
Base-Backbone interact. energy: -7.027
local terms energy: -415.939200
where:
bonds (distance) C4'-P energy: -89.685
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -90.827
flat angles P-C4'-P energy: -59.678
tors. eta vs tors. theta energy: -93.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1236.827136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.827136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.827136 (E_RNA)
where:
Base-Base interactions energy: -823.058
where: short stacking energy: -380.729
Base-Backbone interact. energy: -3.204
local terms energy: -410.564879
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -90.983
flat angles C4'-P-C4' energy: -89.586
flat angles P-C4'-P energy: -60.219
tors. eta vs tors. theta energy: -106.871
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: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1032.534659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.534659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.534659 (E_RNA)
where:
Base-Base interactions energy: -666.997
where: short stacking energy: -322.169
Base-Backbone interact. energy: -1.698
local terms energy: -363.839661
where:
bonds (distance) C4'-P energy: -65.261
bonds (distance) P-C4' energy: -74.197
flat angles C4'-P-C4' energy: -87.356
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -82.705
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: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -944.856372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.856372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.856372 (E_RNA)
where:
Base-Base interactions energy: -571.223
where: short stacking energy: -290.757
Base-Backbone interact. energy: -0.041
local terms energy: -373.592085
where:
bonds (distance) C4'-P energy: -68.516
bonds (distance) P-C4' energy: -96.555
flat angles C4'-P-C4' energy: -83.569
flat angles P-C4'-P energy: -64.001
tors. eta vs tors. theta energy: -60.951
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: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -903.002176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.002176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.002176 (E_RNA)
where:
Base-Base interactions energy: -565.031
where: short stacking energy: -291.580
Base-Backbone interact. energy: -0.044
local terms energy: -337.927875
where:
bonds (distance) C4'-P energy: -64.077
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -77.282
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -57.853
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: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -681.247854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.247854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.247854 (E_RNA)
where:
Base-Base interactions energy: -386.335
where: short stacking energy: -197.997
Base-Backbone interact. energy: -0.138
local terms energy: -294.774413
where:
bonds (distance) C4'-P energy: -69.119
bonds (distance) P-C4' energy: -85.872
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -54.262
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -388.143488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.143488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.143488 (E_RNA)
where:
Base-Base interactions energy: -135.594
where: short stacking energy: -110.195
Base-Backbone interact. energy: -1.099
local terms energy: -251.449890
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -88.133
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: 7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1570.905293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.905293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.905293 (E_RNA)
where:
Base-Base interactions energy: -1038.856
where: short stacking energy: -487.741
Base-Backbone interact. energy: 0.467
local terms energy: -532.516725
where:
bonds (distance) C4'-P energy: -98.434
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -109.955
flat angles P-C4'-P energy: -83.176
tors. eta vs tors. theta energy: -143.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1388.273895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.273895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.273895 (E_RNA)
where:
Base-Base interactions energy: -925.983
where: short stacking energy: -441.527
Base-Backbone interact. energy: -1.507
local terms energy: -460.783423
where:
bonds (distance) C4'-P energy: -83.755
bonds (distance) P-C4' energy: -87.735
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -61.145
tors. eta vs tors. theta energy: -126.838
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: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1390.786689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.786689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.786689 (E_RNA)
where:
Base-Base interactions energy: -941.261
where: short stacking energy: -445.590
Base-Backbone interact. energy: -0.202
local terms energy: -449.324022
where:
bonds (distance) C4'-P energy: -76.641
bonds (distance) P-C4' energy: -86.366
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -63.326
tors. eta vs tors. theta energy: -123.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1327.344420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.344420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.344420 (E_RNA)
where:
Base-Base interactions energy: -908.261
where: short stacking energy: -376.044
Base-Backbone interact. energy: -3.282
local terms energy: -415.801317
where:
bonds (distance) C4'-P energy: -74.754
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -90.027
flat angles P-C4'-P energy: -59.010
tors. eta vs tors. theta energy: -96.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1209.538175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.538175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.538175 (E_RNA)
where:
Base-Base interactions energy: -808.164
where: short stacking energy: -395.020
Base-Backbone interact. energy: -0.296
local terms energy: -401.077413
where:
bonds (distance) C4'-P energy: -75.575
bonds (distance) P-C4' energy: -97.915
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -60.812
tors. eta vs tors. theta energy: -98.753
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: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1042.105031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.105031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.105031 (E_RNA)
where:
Base-Base interactions energy: -667.827
where: short stacking energy: -344.036
Base-Backbone interact. energy: 0.224
local terms energy: -374.501466
where:
bonds (distance) C4'-P energy: -84.359
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -79.871
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -75.413
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: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -970.083379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.083379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.083379 (E_RNA)
where:
Base-Base interactions energy: -614.980
where: short stacking energy: -289.116
Base-Backbone interact. energy: -0.479
local terms energy: -354.623994
where:
bonds (distance) C4'-P energy: -66.673
bonds (distance) P-C4' energy: -73.487
flat angles C4'-P-C4' energy: -94.991
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -66.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -853.651536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.651536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.651536 (E_RNA)
where:
Base-Base interactions energy: -531.140
where: short stacking energy: -258.396
Base-Backbone interact. energy: 4.024
local terms energy: -326.535362
where:
bonds (distance) C4'-P energy: -74.423
bonds (distance) P-C4' energy: -76.797
flat angles C4'-P-C4' energy: -85.924
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -604.340089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.340089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.340089 (E_RNA)
where:
Base-Base interactions energy: -340.655
where: short stacking energy: -200.889
Base-Backbone interact. energy: -1.438
local terms energy: -262.246995
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -79.609
flat angles C4'-P-C4' energy: -57.925
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -399.811997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.811997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.811997 (E_RNA)
where:
Base-Base interactions energy: -176.565
where: short stacking energy: -112.693
Base-Backbone interact. energy: -1.509
local terms energy: -221.738454
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -83.061
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: 6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1557.749971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.749971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.749971 (E_RNA)
where:
Base-Base interactions energy: -1050.210
where: short stacking energy: -518.847
Base-Backbone interact. energy: -1.831
local terms energy: -505.709131
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -90.218
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -149.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1402.973992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.973992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.973992 (E_RNA)
where:
Base-Base interactions energy: -953.101
where: short stacking energy: -433.672
Base-Backbone interact. energy: -3.475
local terms energy: -446.398710
where:
bonds (distance) C4'-P energy: -87.627
bonds (distance) P-C4' energy: -82.489
flat angles C4'-P-C4' energy: -97.135
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: -112.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1389.469434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.469434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.469434 (E_RNA)
where:
Base-Base interactions energy: -925.067
where: short stacking energy: -418.665
Base-Backbone interact. energy: -0.108
local terms energy: -464.295074
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -93.086
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -73.299
tors. eta vs tors. theta energy: -119.370
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: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1376.050799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.050799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.050799 (E_RNA)
where:
Base-Base interactions energy: -946.132
where: short stacking energy: -405.680
Base-Backbone interact. energy: -2.207
local terms energy: -427.710972
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -90.644
flat angles C4'-P-C4' energy: -91.631
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -113.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1227.487550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.487550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.487550 (E_RNA)
where:
Base-Base interactions energy: -809.582
where: short stacking energy: -397.095
Base-Backbone interact. energy: -0.800
local terms energy: -417.106240
where:
bonds (distance) C4'-P energy: -82.349
bonds (distance) P-C4' energy: -78.291
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -54.870
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: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1086.844262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.844262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.844262 (E_RNA)
where:
Base-Base interactions energy: -712.685
where: short stacking energy: -339.090
Base-Backbone interact. energy: 0.548
local terms energy: -374.707383
where:
bonds (distance) C4'-P energy: -82.127
bonds (distance) P-C4' energy: -84.846
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -65.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -997.352140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.352140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.352140 (E_RNA)
where:
Base-Base interactions energy: -666.617
where: short stacking energy: -306.896
Base-Backbone interact. energy: -0.628
local terms energy: -330.107264
where:
bonds (distance) C4'-P energy: -66.102
bonds (distance) P-C4' energy: -79.979
flat angles C4'-P-C4' energy: -75.243
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -69.850
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: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -949.684810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.684810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.684810 (E_RNA)
where:
Base-Base interactions energy: -589.537
where: short stacking energy: -287.850
Base-Backbone interact. energy: -0.800
local terms energy: -359.347611
where:
bonds (distance) C4'-P energy: -73.060
bonds (distance) P-C4' energy: -82.058
flat angles C4'-P-C4' energy: -91.783
flat angles P-C4'-P energy: -48.286
tors. eta vs tors. theta energy: -64.160
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -582.982089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.982089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.982089 (E_RNA)
where:
Base-Base interactions energy: -293.710
where: short stacking energy: -188.782
Base-Backbone interact. energy: -1.578
local terms energy: -287.693950
where:
bonds (distance) C4'-P energy: -93.905
bonds (distance) P-C4' energy: -65.028
flat angles C4'-P-C4' energy: -70.976
flat angles P-C4'-P energy: -47.362
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -454.887382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.887382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.887382 (E_RNA)
where:
Base-Base interactions energy: -207.643
where: short stacking energy: -145.542
Base-Backbone interact. energy: -1.591
local terms energy: -245.653475
where:
bonds (distance) C4'-P energy: -68.656
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1554.987639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.987639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.987639 (E_RNA)
where:
Base-Base interactions energy: -1050.914
where: short stacking energy: -510.218
Base-Backbone interact. energy: -2.476
local terms energy: -501.597261
where:
bonds (distance) C4'-P energy: -84.608
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -68.118
tors. eta vs tors. theta energy: -146.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1432.052228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.052228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.052228 (E_RNA)
where:
Base-Base interactions energy: -961.459
where: short stacking energy: -451.976
Base-Backbone interact. energy: -5.225
local terms energy: -465.368533
where:
bonds (distance) C4'-P energy: -87.232
bonds (distance) P-C4' energy: -89.698
flat angles C4'-P-C4' energy: -100.377
flat angles P-C4'-P energy: -63.867
tors. eta vs tors. theta energy: -124.195
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: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1350.379710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.379710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.379710 (E_RNA)
where:
Base-Base interactions energy: -899.056
where: short stacking energy: -434.276
Base-Backbone interact. energy: -1.327
local terms energy: -449.997370
where:
bonds (distance) C4'-P energy: -90.199
bonds (distance) P-C4' energy: -81.557
flat angles C4'-P-C4' energy: -99.475
flat angles P-C4'-P energy: -64.838
tors. eta vs tors. theta energy: -113.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1358.965072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.965072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.965072 (E_RNA)
where:
Base-Base interactions energy: -910.102
where: short stacking energy: -405.953
Base-Backbone interact. energy: -0.696
local terms energy: -448.166854
where:
bonds (distance) C4'-P energy: -76.862
bonds (distance) P-C4' energy: -94.370
flat angles C4'-P-C4' energy: -100.937
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: -114.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1194.585467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.585467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.585467 (E_RNA)
where:
Base-Base interactions energy: -802.645
where: short stacking energy: -385.374
Base-Backbone interact. energy: 0.708
local terms energy: -392.648663
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -84.191
flat angles C4'-P-C4' energy: -84.967
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -103.445
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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1103.102590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.102590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.102590 (E_RNA)
where:
Base-Base interactions energy: -713.989
where: short stacking energy: -334.721
Base-Backbone interact. energy: -1.201
local terms energy: -387.912053
where:
bonds (distance) C4'-P energy: -81.792
bonds (distance) P-C4' energy: -81.535
flat angles C4'-P-C4' energy: -86.837
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -76.923
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: 51
Temperature: 1.200000
Total energy: -1005.477148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.477148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.477148 (E_RNA)
where:
Base-Base interactions energy: -640.397
where: short stacking energy: -307.968
Base-Backbone interact. energy: 3.558
local terms energy: -368.637830
where:
bonds (distance) C4'-P energy: -79.003
bonds (distance) P-C4' energy: -74.906
flat angles C4'-P-C4' energy: -84.696
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: -71.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -891.224694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.224694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.224694 (E_RNA)
where:
Base-Base interactions energy: -582.274
where: short stacking energy: -254.336
Base-Backbone interact. energy: -0.373
local terms energy: -308.577998
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -76.596
flat angles C4'-P-C4' energy: -74.892
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -59.873
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -553.678429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.678429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.678429 (E_RNA)
where:
Base-Base interactions energy: -273.223
where: short stacking energy: -177.328
Base-Backbone interact. energy: 0.011
local terms energy: -280.465706
where:
bonds (distance) C4'-P energy: -85.063
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -456.354951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.354951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.354951 (E_RNA)
where:
Base-Base interactions energy: -204.543
where: short stacking energy: -132.521
Base-Backbone interact. energy: 4.048
local terms energy: -255.859952
where:
bonds (distance) C4'-P energy: -75.760
bonds (distance) P-C4' energy: -81.929
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: 1.990
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: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1554.574026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.574026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.574026 (E_RNA)
where:
Base-Base interactions energy: -1036.042
where: short stacking energy: -516.400
Base-Backbone interact. energy: -3.584
local terms energy: -514.948230
where:
bonds (distance) C4'-P energy: -91.818
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -112.680
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -145.439
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: 52
Temperature: 0.950000
Total energy: -1422.327713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.327713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.327713 (E_RNA)
where:
Base-Base interactions energy: -978.457
where: short stacking energy: -423.613
Base-Backbone interact. energy: -1.770
local terms energy: -442.101300
where:
bonds (distance) C4'-P energy: -78.545
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -92.798
flat angles P-C4'-P energy: -65.200
tors. eta vs tors. theta energy: -113.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1381.404889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.404889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.404889 (E_RNA)
where:
Base-Base interactions energy: -920.180
where: short stacking energy: -413.540
Base-Backbone interact. energy: 1.383
local terms energy: -462.607522
where:
bonds (distance) C4'-P energy: -85.565
bonds (distance) P-C4' energy: -101.346
flat angles C4'-P-C4' energy: -88.163
flat angles P-C4'-P energy: -72.888
tors. eta vs tors. theta energy: -114.647
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: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1282.853179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.853179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.853179 (E_RNA)
where:
Base-Base interactions energy: -829.119
where: short stacking energy: -424.041
Base-Backbone interact. energy: -3.972
local terms energy: -449.762667
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -99.178
flat angles C4'-P-C4' energy: -92.929
flat angles P-C4'-P energy: -61.676
tors. eta vs tors. theta energy: -119.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1193.618663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.618663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.618663 (E_RNA)
where:
Base-Base interactions energy: -807.092
where: short stacking energy: -380.800
Base-Backbone interact. energy: -1.643
local terms energy: -384.883788
where:
bonds (distance) C4'-P energy: -60.886
bonds (distance) P-C4' energy: -83.890
flat angles C4'-P-C4' energy: -95.058
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -99.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1081.299411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.299411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.299411 (E_RNA)
where:
Base-Base interactions energy: -699.340
where: short stacking energy: -314.550
Base-Backbone interact. energy: 1.441
local terms energy: -383.400449
where:
bonds (distance) C4'-P energy: -89.052
bonds (distance) P-C4' energy: -84.146
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -83.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1005.958164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.958164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.958164 (E_RNA)
where:
Base-Base interactions energy: -651.600
where: short stacking energy: -308.126
Base-Backbone interact. energy: -0.717
local terms energy: -353.640536
where:
bonds (distance) C4'-P energy: -74.870
bonds (distance) P-C4' energy: -84.189
flat angles C4'-P-C4' energy: -80.401
flat angles P-C4'-P energy: -54.272
tors. eta vs tors. theta energy: -59.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -847.340887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.340887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.340887 (E_RNA)
where:
Base-Base interactions energy: -558.794
where: short stacking energy: -245.551
Base-Backbone interact. energy: -1.040
local terms energy: -287.507084
where:
bonds (distance) C4'-P energy: -78.614
bonds (distance) P-C4' energy: -67.389
flat angles C4'-P-C4' energy: -66.281
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -30.418
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: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -494.722094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.722094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.722094 (E_RNA)
where:
Base-Base interactions energy: -221.193
where: short stacking energy: -155.292
Base-Backbone interact. energy: 6.122
local terms energy: -279.651070
where:
bonds (distance) C4'-P energy: -82.148
bonds (distance) P-C4' energy: -77.738
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -56.386
tors. eta vs tors. theta energy: -15.979
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: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -551.264157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.264157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.264157 (E_RNA)
where:
Base-Base interactions energy: -288.657
where: short stacking energy: -187.237
Base-Backbone interact. energy: 0.449
local terms energy: -263.056255
where:
bonds (distance) C4'-P energy: -78.156
bonds (distance) P-C4' energy: -70.579
flat angles C4'-P-C4' energy: -49.194
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1570.798294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.798294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.798294 (E_RNA)
where:
Base-Base interactions energy: -1059.580
where: short stacking energy: -492.445
Base-Backbone interact. energy: -2.560
local terms energy: -508.659172
where:
bonds (distance) C4'-P energy: -87.083
bonds (distance) P-C4' energy: -95.398
flat angles C4'-P-C4' energy: -108.681
flat angles P-C4'-P energy: -79.281
tors. eta vs tors. theta energy: -138.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1423.966904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.966904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.966904 (E_RNA)
where:
Base-Base interactions energy: -954.213
where: short stacking energy: -447.442
Base-Backbone interact. energy: -1.726
local terms energy: -468.027891
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -104.029
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -114.739
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1392.075380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.075380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.075380 (E_RNA)
where:
Base-Base interactions energy: -947.816
where: short stacking energy: -418.790
Base-Backbone interact. energy: -2.393
local terms energy: -441.866185
where:
bonds (distance) C4'-P energy: -78.311
bonds (distance) P-C4' energy: -81.667
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -62.548
tors. eta vs tors. theta energy: -111.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1300.642092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.642092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.642092 (E_RNA)
where:
Base-Base interactions energy: -870.365
where: short stacking energy: -387.703
Base-Backbone interact. energy: -4.422
local terms energy: -425.855310
where:
bonds (distance) C4'-P energy: -81.520
bonds (distance) P-C4' energy: -96.209
flat angles C4'-P-C4' energy: -92.174
flat angles P-C4'-P energy: -50.240
tors. eta vs tors. theta energy: -105.712
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: 53
Temperature: 1.100000
Total energy: -1172.380433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.380433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.380433 (E_RNA)
where:
Base-Base interactions energy: -767.985
where: short stacking energy: -380.712
Base-Backbone interact. energy: 0.283
local terms energy: -404.678287
where:
bonds (distance) C4'-P energy: -73.651
bonds (distance) P-C4' energy: -84.478
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -103.601
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1077.825348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.825348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.825348 (E_RNA)
where:
Base-Base interactions energy: -687.610
where: short stacking energy: -322.234
Base-Backbone interact. energy: -0.304
local terms energy: -389.910893
where:
bonds (distance) C4'-P energy: -76.389
bonds (distance) P-C4' energy: -87.736
flat angles C4'-P-C4' energy: -88.986
flat angles P-C4'-P energy: -62.800
tors. eta vs tors. theta energy: -74.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -991.121526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.121526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.121526 (E_RNA)
where:
Base-Base interactions energy: -656.154
where: short stacking energy: -307.848
Base-Backbone interact. energy: 0.108
local terms energy: -335.075495
where:
bonds (distance) C4'-P energy: -67.991
bonds (distance) P-C4' energy: -71.526
flat angles C4'-P-C4' energy: -86.769
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -65.619
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: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -853.529871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.529871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.529871 (E_RNA)
where:
Base-Base interactions energy: -559.773
where: short stacking energy: -244.919
Base-Backbone interact. energy: -1.353
local terms energy: -292.404426
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -68.751
flat angles C4'-P-C4' energy: -83.647
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -40.121
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: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -514.063074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.063074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.063074 (E_RNA)
where:
Base-Base interactions energy: -256.992
where: short stacking energy: -148.382
Base-Backbone interact. energy: -2.559
local terms energy: -254.512150
where:
bonds (distance) C4'-P energy: -71.702
bonds (distance) P-C4' energy: -70.503
flat angles C4'-P-C4' energy: -71.901
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: 0.453
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: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -514.179660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.179660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.179660 (E_RNA)
where:
Base-Base interactions energy: -234.207
where: short stacking energy: -135.930
Base-Backbone interact. energy: 0.134
local terms energy: -280.106363
where:
bonds (distance) C4'-P energy: -75.523
bonds (distance) P-C4' energy: -79.484
flat angles C4'-P-C4' energy: -80.218
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -8.761
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: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1512.607014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.607014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.607014 (E_RNA)
where:
Base-Base interactions energy: -997.984
where: short stacking energy: -483.758
Base-Backbone interact. energy: -3.437
local terms energy: -511.186190
where:
bonds (distance) C4'-P energy: -88.791
bonds (distance) P-C4' energy: -96.517
flat angles C4'-P-C4' energy: -100.080
flat angles P-C4'-P energy: -87.019
tors. eta vs tors. theta energy: -138.780
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: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1406.741654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.741654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.741654 (E_RNA)
where:
Base-Base interactions energy: -964.924
where: short stacking energy: -430.383
Base-Backbone interact. energy: -4.029
local terms energy: -437.789057
where:
bonds (distance) C4'-P energy: -87.838
bonds (distance) P-C4' energy: -78.433
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -52.843
tors. eta vs tors. theta energy: -120.599
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1402.059872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.059872 (E_RNA)
where:
Base-Base interactions energy: -966.392
where: short stacking energy: -425.662
Base-Backbone interact. energy: -2.161
local terms energy: -433.506864
where:
bonds (distance) C4'-P energy: -85.639
bonds (distance) P-C4' energy: -85.385
flat angles C4'-P-C4' energy: -90.591
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -113.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1348.759064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.759064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.759064 (E_RNA)
where:
Base-Base interactions energy: -903.042
where: short stacking energy: -414.342
Base-Backbone interact. energy: -1.455
local terms energy: -444.261849
where:
bonds (distance) C4'-P energy: -85.866
bonds (distance) P-C4' energy: -87.333
flat angles C4'-P-C4' energy: -92.804
flat angles P-C4'-P energy: -69.638
tors. eta vs tors. theta energy: -108.622
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: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1156.928028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.928028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.928028 (E_RNA)
where:
Base-Base interactions energy: -758.383
where: short stacking energy: -366.898
Base-Backbone interact. energy: -1.116
local terms energy: -397.429133
where:
bonds (distance) C4'-P energy: -77.909
bonds (distance) P-C4' energy: -85.776
flat angles C4'-P-C4' energy: -88.726
flat angles P-C4'-P energy: -53.430
tors. eta vs tors. theta energy: -91.588
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1144.762270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.762270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.762270 (E_RNA)
where:
Base-Base interactions energy: -752.572
where: short stacking energy: -350.673
Base-Backbone interact. energy: -0.066
local terms energy: -392.124446
where:
bonds (distance) C4'-P energy: -78.783
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -77.909
flat angles P-C4'-P energy: -62.485
tors. eta vs tors. theta energy: -80.507
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: 54
Temperature: 1.200000
Total energy: -1004.442359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.442359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.442359 (E_RNA)
where:
Base-Base interactions energy: -640.196
where: short stacking energy: -308.074
Base-Backbone interact. energy: 2.102
local terms energy: -366.348329
where:
bonds (distance) C4'-P energy: -66.599
bonds (distance) P-C4' energy: -83.268
flat angles C4'-P-C4' energy: -79.427
flat angles P-C4'-P energy: -65.486
tors. eta vs tors. theta energy: -71.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -862.483018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.483018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.483018 (E_RNA)
where:
Base-Base interactions energy: -544.365
where: short stacking energy: -256.504
Base-Backbone interact. energy: 1.284
local terms energy: -319.401798
where:
bonds (distance) C4'-P energy: -70.184
bonds (distance) P-C4' energy: -80.590
flat angles C4'-P-C4' energy: -87.379
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -33.397
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: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -554.713187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.713187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.713187 (E_RNA)
where:
Base-Base interactions energy: -300.232
where: short stacking energy: -175.946
Base-Backbone interact. energy: 1.263
local terms energy: -255.743747
where:
bonds (distance) C4'-P energy: -61.848
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -463.227234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.227234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.227234 (E_RNA)
where:
Base-Base interactions energy: -221.323
where: short stacking energy: -145.010
Base-Backbone interact. energy: -0.318
local terms energy: -241.586476
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -71.180
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -45.731
tors. eta vs tors. theta energy: -7.542
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: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1533.901021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.901021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.901021 (E_RNA)
where:
Base-Base interactions energy: -1046.126
where: short stacking energy: -481.884
Base-Backbone interact. energy: -4.938
local terms energy: -482.837849
where:
bonds (distance) C4'-P energy: -88.541
bonds (distance) P-C4' energy: -96.354
flat angles C4'-P-C4' energy: -93.118
flat angles P-C4'-P energy: -70.084
tors. eta vs tors. theta energy: -134.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1430.607655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.607655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.607655 (E_RNA)
where:
Base-Base interactions energy: -979.356
where: short stacking energy: -422.735
Base-Backbone interact. energy: 0.186
local terms energy: -451.437690
where:
bonds (distance) C4'-P energy: -96.188
bonds (distance) P-C4' energy: -78.652
flat angles C4'-P-C4' energy: -94.950
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -114.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1394.574840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.574840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.574840 (E_RNA)
where:
Base-Base interactions energy: -942.740
where: short stacking energy: -415.931
Base-Backbone interact. energy: -2.068
local terms energy: -449.766706
where:
bonds (distance) C4'-P energy: -77.186
bonds (distance) P-C4' energy: -98.153
flat angles C4'-P-C4' energy: -84.042
flat angles P-C4'-P energy: -71.038
tors. eta vs tors. theta energy: -119.347
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: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1365.589780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.589780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.589780 (E_RNA)
where:
Base-Base interactions energy: -914.722
where: short stacking energy: -423.933
Base-Backbone interact. energy: 6.259
local terms energy: -457.126727
where:
bonds (distance) C4'-P energy: -89.801
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -87.457
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -121.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1208.801542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.801542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.801542 (E_RNA)
where:
Base-Base interactions energy: -793.770
where: short stacking energy: -353.822
Base-Backbone interact. energy: -1.435
local terms energy: -413.596990
where:
bonds (distance) C4'-P energy: -87.099
bonds (distance) P-C4' energy: -83.304
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -88.873
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: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1169.103246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.103246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.103246 (E_RNA)
where:
Base-Base interactions energy: -751.784
where: short stacking energy: -371.590
Base-Backbone interact. energy: -2.326
local terms energy: -414.993106
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -82.424
flat angles C4'-P-C4' energy: -90.983
flat angles P-C4'-P energy: -61.467
tors. eta vs tors. theta energy: -93.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1050.041786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.041786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.041786 (E_RNA)
where:
Base-Base interactions energy: -670.600
where: short stacking energy: -303.930
Base-Backbone interact. energy: 0.484
local terms energy: -379.925816
where:
bonds (distance) C4'-P energy: -75.478
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -87.475
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -60.736
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: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -830.606655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.606655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.606655 (E_RNA)
where:
Base-Base interactions energy: -518.956
where: short stacking energy: -257.289
Base-Backbone interact. energy: -3.038
local terms energy: -308.612417
where:
bonds (distance) C4'-P energy: -76.714
bonds (distance) P-C4' energy: -83.445
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -38.259
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: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -541.534697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.534697 (E_RNA)
where:
Base-Base interactions energy: -270.961
where: short stacking energy: -151.135
Base-Backbone interact. energy: -0.155
local terms energy: -270.418292
where:
bonds (distance) C4'-P energy: -62.556
bonds (distance) P-C4' energy: -82.151
flat angles C4'-P-C4' energy: -73.299
flat angles P-C4'-P energy: -48.660
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -490.670138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.670138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.670138 (E_RNA)
where:
Base-Base interactions energy: -221.307
where: short stacking energy: -142.477
Base-Backbone interact. energy: 4.802
local terms energy: -274.165316
where:
bonds (distance) C4'-P energy: -73.210
bonds (distance) P-C4' energy: -76.490
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -46.695
tors. eta vs tors. theta energy: -10.346
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1532.647871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.647871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.647871 (E_RNA)
where:
Base-Base interactions energy: -1034.072
where: short stacking energy: -502.674
Base-Backbone interact. energy: -0.843
local terms energy: -497.732570
where:
bonds (distance) C4'-P energy: -85.873
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -106.788
flat angles P-C4'-P energy: -72.113
tors. eta vs tors. theta energy: -146.133
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: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1488.292067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.292067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.292067 (E_RNA)
where:
Base-Base interactions energy: -1003.038
where: short stacking energy: -456.422
Base-Backbone interact. energy: -2.366
local terms energy: -482.888460
where:
bonds (distance) C4'-P energy: -86.501
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -104.718
flat angles P-C4'-P energy: -78.062
tors. eta vs tors. theta energy: -117.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1406.793218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.793218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.793218 (E_RNA)
where:
Base-Base interactions energy: -970.573
where: short stacking energy: -404.148
Base-Backbone interact. energy: -4.439
local terms energy: -431.781738
where:
bonds (distance) C4'-P energy: -86.831
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -46.866
tors. eta vs tors. theta energy: -111.253
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: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1341.579576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.579576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.579576 (E_RNA)
where:
Base-Base interactions energy: -909.259
where: short stacking energy: -407.510
Base-Backbone interact. energy: -1.299
local terms energy: -431.021669
where:
bonds (distance) C4'-P energy: -76.773
bonds (distance) P-C4' energy: -88.134
flat angles C4'-P-C4' energy: -101.080
flat angles P-C4'-P energy: -54.243
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: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1206.971328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.971328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.971328 (E_RNA)
where:
Base-Base interactions energy: -788.576
where: short stacking energy: -375.539
Base-Backbone interact. energy: -1.714
local terms energy: -416.680701
where:
bonds (distance) C4'-P energy: -78.437
bonds (distance) P-C4' energy: -81.764
flat angles C4'-P-C4' energy: -88.934
flat angles P-C4'-P energy: -66.134
tors. eta vs tors. theta energy: -101.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1165.699392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.699392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.699392 (E_RNA)
where:
Base-Base interactions energy: -769.762
where: short stacking energy: -340.687
Base-Backbone interact. energy: -3.776
local terms energy: -392.161603
where:
bonds (distance) C4'-P energy: -84.648
bonds (distance) P-C4' energy: -79.543
flat angles C4'-P-C4' energy: -84.403
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -92.622
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: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1012.932218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.932218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.932218 (E_RNA)
where:
Base-Base interactions energy: -655.496
where: short stacking energy: -320.305
Base-Backbone interact. energy: -0.120
local terms energy: -357.316160
where:
bonds (distance) C4'-P energy: -73.560
bonds (distance) P-C4' energy: -73.494
flat angles C4'-P-C4' energy: -87.943
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: -62.732
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: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -808.624535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.624535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.624535 (E_RNA)
where:
Base-Base interactions energy: -490.417
where: short stacking energy: -213.178
Base-Backbone interact. energy: -0.754
local terms energy: -317.453933
where:
bonds (distance) C4'-P energy: -74.429
bonds (distance) P-C4' energy: -80.257
flat angles C4'-P-C4' energy: -87.593
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -36.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -593.072907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.072907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.072907 (E_RNA)
where:
Base-Base interactions energy: -306.939
where: short stacking energy: -170.022
Base-Backbone interact. energy: 0.434
local terms energy: -286.567168
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -84.518
flat angles C4'-P-C4' energy: -70.864
flat angles P-C4'-P energy: -48.171
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -478.005086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.005086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.005086 (E_RNA)
where:
Base-Base interactions energy: -232.156
where: short stacking energy: -148.202
Base-Backbone interact. energy: -0.809
local terms energy: -245.039888
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -75.336
flat angles C4'-P-C4' energy: -63.350
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: 4.745
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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1547.977446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.977446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.977446 (E_RNA)
where:
Base-Base interactions energy: -1044.564
where: short stacking energy: -514.832
Base-Backbone interact. energy: -3.492
local terms energy: -499.921984
where:
bonds (distance) C4'-P energy: -87.358
bonds (distance) P-C4' energy: -78.472
flat angles C4'-P-C4' energy: -113.863
flat angles P-C4'-P energy: -79.232
tors. eta vs tors. theta energy: -140.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1465.075633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.075633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.075633 (E_RNA)
where:
Base-Base interactions energy: -997.598
where: short stacking energy: -426.366
Base-Backbone interact. energy: -0.982
local terms energy: -466.495432
where:
bonds (distance) C4'-P energy: -95.760
bonds (distance) P-C4' energy: -97.704
flat angles C4'-P-C4' energy: -94.003
flat angles P-C4'-P energy: -65.556
tors. eta vs tors. theta energy: -113.471
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1409.700559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.700559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.700559 (E_RNA)
where:
Base-Base interactions energy: -973.147
where: short stacking energy: -409.145
Base-Backbone interact. energy: -2.327
local terms energy: -434.226136
where:
bonds (distance) C4'-P energy: -84.759
bonds (distance) P-C4' energy: -89.645
flat angles C4'-P-C4' energy: -92.949
flat angles P-C4'-P energy: -61.608
tors. eta vs tors. theta energy: -105.266
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1369.468943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.468943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.468943 (E_RNA)
where:
Base-Base interactions energy: -910.960
where: short stacking energy: -442.145
Base-Backbone interact. energy: -1.021
local terms energy: -457.488232
where:
bonds (distance) C4'-P energy: -105.518
bonds (distance) P-C4' energy: -86.842
flat angles C4'-P-C4' energy: -93.624
flat angles P-C4'-P energy: -57.521
tors. eta vs tors. theta energy: -113.983
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: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1167.433138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.433138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.433138 (E_RNA)
where:
Base-Base interactions energy: -752.721
where: short stacking energy: -340.127
Base-Backbone interact. energy: -1.985
local terms energy: -412.727725
where:
bonds (distance) C4'-P energy: -85.992
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -88.539
flat angles P-C4'-P energy: -66.944
tors. eta vs tors. theta energy: -92.844
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1163.857574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.857574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.857574 (E_RNA)
where:
Base-Base interactions energy: -784.922
where: short stacking energy: -361.103
Base-Backbone interact. energy: 0.002
local terms energy: -378.937818
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -91.867
flat angles C4'-P-C4' energy: -65.806
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: -94.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1013.314926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.314926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.314926 (E_RNA)
where:
Base-Base interactions energy: -653.139
where: short stacking energy: -314.849
Base-Backbone interact. energy: 2.666
local terms energy: -362.841868
where:
bonds (distance) C4'-P energy: -58.047
bonds (distance) P-C4' energy: -87.192
flat angles C4'-P-C4' energy: -94.546
flat angles P-C4'-P energy: -54.978
tors. eta vs tors. theta energy: -68.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -849.950478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.950478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.950478 (E_RNA)
where:
Base-Base interactions energy: -541.321
where: short stacking energy: -246.801
Base-Backbone interact. energy: -2.948
local terms energy: -305.681052
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -80.867
flat angles C4'-P-C4' energy: -76.965
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -34.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -585.850155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.850155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.850155 (E_RNA)
where:
Base-Base interactions energy: -298.854
where: short stacking energy: -169.565
Base-Backbone interact. energy: 0.721
local terms energy: -287.716887
where:
bonds (distance) C4'-P energy: -75.438
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -67.844
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -495.876197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.876197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.876197 (E_RNA)
where:
Base-Base interactions energy: -236.842
where: short stacking energy: -136.603
Base-Backbone interact. energy: -1.235
local terms energy: -257.798404
where:
bonds (distance) C4'-P energy: -62.964
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -72.901
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: 15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1516.734037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.734037 (E_RNA)
where:
Base-Base interactions energy: -1021.028
where: short stacking energy: -507.960
Base-Backbone interact. energy: -3.831
local terms energy: -491.875419
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -89.966
flat angles C4'-P-C4' energy: -110.552
flat angles P-C4'-P energy: -69.374
tors. eta vs tors. theta energy: -139.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1457.469852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.469852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.469852 (E_RNA)
where:
Base-Base interactions energy: -1004.337
where: short stacking energy: -419.367
Base-Backbone interact. energy: -1.898
local terms energy: -451.234397
where:
bonds (distance) C4'-P energy: -94.594
bonds (distance) P-C4' energy: -81.073
flat angles C4'-P-C4' energy: -97.337
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -105.622
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: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1370.539340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.539340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.539340 (E_RNA)
where:
Base-Base interactions energy: -907.071
where: short stacking energy: -400.004
Base-Backbone interact. energy: -2.154
local terms energy: -461.314908
where:
bonds (distance) C4'-P energy: -90.277
bonds (distance) P-C4' energy: -91.457
flat angles C4'-P-C4' energy: -95.733
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -113.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1389.387521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.387521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.387521 (E_RNA)
where:
Base-Base interactions energy: -933.978
where: short stacking energy: -455.354
Base-Backbone interact. energy: -1.555
local terms energy: -453.854319
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -73.254
flat angles C4'-P-C4' energy: -98.503
flat angles P-C4'-P energy: -76.103
tors. eta vs tors. theta energy: -130.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1184.676677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.676677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.676677 (E_RNA)
where:
Base-Base interactions energy: -768.957
where: short stacking energy: -350.465
Base-Backbone interact. energy: -0.199
local terms energy: -415.520383
where:
bonds (distance) C4'-P energy: -79.477
bonds (distance) P-C4' energy: -100.309
flat angles C4'-P-C4' energy: -86.729
flat angles P-C4'-P energy: -54.742
tors. eta vs tors. theta energy: -94.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1092.068172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.068172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.068172 (E_RNA)
where:
Base-Base interactions energy: -698.248
where: short stacking energy: -323.849
Base-Backbone interact. energy: 0.992
local terms energy: -394.812188
where:
bonds (distance) C4'-P energy: -69.004
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -90.720
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -98.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1039.033980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.033980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.033980 (E_RNA)
where:
Base-Base interactions energy: -672.621
where: short stacking energy: -315.369
Base-Backbone interact. energy: -0.598
local terms energy: -365.814945
where:
bonds (distance) C4'-P energy: -75.921
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -50.451
tors. eta vs tors. theta energy: -78.740
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: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -826.063783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.063783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.063783 (E_RNA)
where:
Base-Base interactions energy: -517.467
where: short stacking energy: -250.663
Base-Backbone interact. energy: 0.361
local terms energy: -308.957119
where:
bonds (distance) C4'-P energy: -78.853
bonds (distance) P-C4' energy: -70.941
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -46.725
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -566.888004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.888004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.888004 (E_RNA)
where:
Base-Base interactions energy: -292.403
where: short stacking energy: -165.548
Base-Backbone interact. energy: 5.249
local terms energy: -279.733810
where:
bonds (distance) C4'-P energy: -76.237
bonds (distance) P-C4' energy: -76.986
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -16.339
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: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -506.657589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.657589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.657589 (E_RNA)
where:
Base-Base interactions energy: -229.295
where: short stacking energy: -146.100
Base-Backbone interact. energy: -3.147
local terms energy: -274.215632
where:
bonds (distance) C4'-P energy: -86.073
bonds (distance) P-C4' energy: -80.398
flat angles C4'-P-C4' energy: -74.520
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1518.037559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.037559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.037559 (E_RNA)
where:
Base-Base interactions energy: -1031.208
where: short stacking energy: -479.614
Base-Backbone interact. energy: 0.558
local terms energy: -487.387542
where:
bonds (distance) C4'-P energy: -88.734
bonds (distance) P-C4' energy: -88.428
flat angles C4'-P-C4' energy: -108.042
flat angles P-C4'-P energy: -68.111
tors. eta vs tors. theta energy: -134.072
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: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1458.130922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.130922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.130922 (E_RNA)
where:
Base-Base interactions energy: -990.259
where: short stacking energy: -434.689
Base-Backbone interact. energy: -1.956
local terms energy: -465.916010
where:
bonds (distance) C4'-P energy: -96.788
bonds (distance) P-C4' energy: -93.423
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -70.808
tors. eta vs tors. theta energy: -113.549
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1353.503910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.503910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.503910 (E_RNA)
where:
Base-Base interactions energy: -918.195
where: short stacking energy: -423.833
Base-Backbone interact. energy: -0.288
local terms energy: -435.020758
where:
bonds (distance) C4'-P energy: -86.414
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -93.196
flat angles P-C4'-P energy: -63.488
tors. eta vs tors. theta energy: -108.882
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1393.786278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.786278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.786278 (E_RNA)
where:
Base-Base interactions energy: -939.514
where: short stacking energy: -427.172
Base-Backbone interact. energy: -0.109
local terms energy: -454.162691
where:
bonds (distance) C4'-P energy: -92.505
bonds (distance) P-C4' energy: -85.663
flat angles C4'-P-C4' energy: -94.415
flat angles P-C4'-P energy: -68.178
tors. eta vs tors. theta energy: -113.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1174.577204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.577204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.577204 (E_RNA)
where:
Base-Base interactions energy: -747.802
where: short stacking energy: -358.451
Base-Backbone interact. energy: -2.633
local terms energy: -424.141927
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -83.396
flat angles C4'-P-C4' energy: -93.363
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -97.115
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: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1066.080726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.080726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.080726 (E_RNA)
where:
Base-Base interactions energy: -707.480
where: short stacking energy: -331.744
Base-Backbone interact. energy: -1.767
local terms energy: -356.833823
where:
bonds (distance) C4'-P energy: -82.371
bonds (distance) P-C4' energy: -72.568
flat angles C4'-P-C4' energy: -73.303
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -74.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -976.142607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.142607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.142607 (E_RNA)
where:
Base-Base interactions energy: -606.465
where: short stacking energy: -300.613
Base-Backbone interact. energy: -3.534
local terms energy: -366.143502
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -77.749
flat angles C4'-P-C4' energy: -86.527
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: -65.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -869.624884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.624884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.624884 (E_RNA)
where:
Base-Base interactions energy: -520.376
where: short stacking energy: -243.005
Base-Backbone interact. energy: 2.071
local terms energy: -351.319900
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -96.816
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -60.362
tors. eta vs tors. theta energy: -51.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -596.496652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.496652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.496652 (E_RNA)
where:
Base-Base interactions energy: -301.272
where: short stacking energy: -176.840
Base-Backbone interact. energy: 0.313
local terms energy: -295.536838
where:
bonds (distance) C4'-P energy: -77.660
bonds (distance) P-C4' energy: -69.781
flat angles C4'-P-C4' energy: -74.569
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -15.487
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: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -558.387161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.387161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.387161 (E_RNA)
where:
Base-Base interactions energy: -320.825
where: short stacking energy: -140.109
Base-Backbone interact. energy: 0.560
local terms energy: -238.122274
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -69.647
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1569.258440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.258440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.258440 (E_RNA)
where:
Base-Base interactions energy: -1061.386
where: short stacking energy: -491.723
Base-Backbone interact. energy: -0.296
local terms energy: -507.576113
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -103.079
flat angles C4'-P-C4' energy: -112.393
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -133.544
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: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1459.897337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.897337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.897337 (E_RNA)
where:
Base-Base interactions energy: -1001.378
where: short stacking energy: -438.537
Base-Backbone interact. energy: -0.905
local terms energy: -457.615091
where:
bonds (distance) C4'-P energy: -89.405
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -102.683
flat angles P-C4'-P energy: -72.752
tors. eta vs tors. theta energy: -108.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1378.481260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.481260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.481260 (E_RNA)
where:
Base-Base interactions energy: -944.652
where: short stacking energy: -424.294
Base-Backbone interact. energy: -1.302
local terms energy: -432.526724
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -86.309
flat angles C4'-P-C4' energy: -97.106
flat angles P-C4'-P energy: -64.498
tors. eta vs tors. theta energy: -105.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1393.393719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.393719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.393719 (E_RNA)
where:
Base-Base interactions energy: -957.787
where: short stacking energy: -464.017
Base-Backbone interact. energy: -1.260
local terms energy: -434.347012
where:
bonds (distance) C4'-P energy: -81.463
bonds (distance) P-C4' energy: -75.562
flat angles C4'-P-C4' energy: -89.712
flat angles P-C4'-P energy: -65.537
tors. eta vs tors. theta energy: -122.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1190.760030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.760030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.760030 (E_RNA)
where:
Base-Base interactions energy: -770.389
where: short stacking energy: -368.006
Base-Backbone interact. energy: -1.420
local terms energy: -418.950935
where:
bonds (distance) C4'-P energy: -84.244
bonds (distance) P-C4' energy: -89.676
flat angles C4'-P-C4' energy: -92.976
flat angles P-C4'-P energy: -55.430
tors. eta vs tors. theta energy: -96.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1092.749394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.749394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.749394 (E_RNA)
where:
Base-Base interactions energy: -723.672
where: short stacking energy: -351.097
Base-Backbone interact. energy: 3.110
local terms energy: -372.187327
where:
bonds (distance) C4'-P energy: -71.312
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -82.002
flat angles P-C4'-P energy: -54.706
tors. eta vs tors. theta energy: -85.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -987.766564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.766564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.766564 (E_RNA)
where:
Base-Base interactions energy: -618.141
where: short stacking energy: -317.411
Base-Backbone interact. energy: -2.275
local terms energy: -367.351088
where:
bonds (distance) C4'-P energy: -78.432
bonds (distance) P-C4' energy: -78.506
flat angles C4'-P-C4' energy: -95.088
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -856.941870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.941870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.941870 (E_RNA)
where:
Base-Base interactions energy: -541.590
where: short stacking energy: -254.626
Base-Backbone interact. energy: -1.970
local terms energy: -313.381996
where:
bonds (distance) C4'-P energy: -69.593
bonds (distance) P-C4' energy: -74.169
flat angles C4'-P-C4' energy: -81.955
flat angles P-C4'-P energy: -50.865
tors. eta vs tors. theta energy: -36.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -594.347316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.347316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.347316 (E_RNA)
where:
Base-Base interactions energy: -318.796
where: short stacking energy: -181.594
Base-Backbone interact. energy: 4.057
local terms energy: -279.607652
where:
bonds (distance) C4'-P energy: -66.785
bonds (distance) P-C4' energy: -73.395
flat angles C4'-P-C4' energy: -71.789
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -560.436477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.436477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.436477 (E_RNA)
where:
Base-Base interactions energy: -323.734
where: short stacking energy: -177.975
Base-Backbone interact. energy: -0.945
local terms energy: -235.756676
where:
bonds (distance) C4'-P energy: -61.515
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1552.742729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.742729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.742729 (E_RNA)
where:
Base-Base interactions energy: -1056.748
where: short stacking energy: -484.510
Base-Backbone interact. energy: -2.264
local terms energy: -493.730106
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -89.962
flat angles C4'-P-C4' energy: -106.500
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -137.664
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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1463.053425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.053425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.053425 (E_RNA)
where:
Base-Base interactions energy: -999.957
where: short stacking energy: -426.306
Base-Backbone interact. energy: 0.128
local terms energy: -463.223574
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -84.936
flat angles C4'-P-C4' energy: -99.142
flat angles P-C4'-P energy: -69.932
tors. eta vs tors. theta energy: -114.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1416.170523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.170523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.170523 (E_RNA)
where:
Base-Base interactions energy: -960.465
where: short stacking energy: -438.992
Base-Backbone interact. energy: 0.506
local terms energy: -456.212337
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -96.420
flat angles C4'-P-C4' energy: -89.644
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -119.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1392.529571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.529571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.529571 (E_RNA)
where:
Base-Base interactions energy: -932.714
where: short stacking energy: -440.712
Base-Backbone interact. energy: -0.690
local terms energy: -459.125890
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -93.611
flat angles C4'-P-C4' energy: -88.884
flat angles P-C4'-P energy: -56.147
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: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1235.748545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.748545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.748545 (E_RNA)
where:
Base-Base interactions energy: -809.541
where: short stacking energy: -383.563
Base-Backbone interact. energy: 0.453
local terms energy: -426.660939
where:
bonds (distance) C4'-P energy: -79.292
bonds (distance) P-C4' energy: -91.172
flat angles C4'-P-C4' energy: -88.877
flat angles P-C4'-P energy: -57.247
tors. eta vs tors. theta energy: -110.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1067.333403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.333403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.333403 (E_RNA)
where:
Base-Base interactions energy: -689.384
where: short stacking energy: -309.933
Base-Backbone interact. energy: -1.853
local terms energy: -376.095815
where:
bonds (distance) C4'-P energy: -79.865
bonds (distance) P-C4' energy: -76.876
flat angles C4'-P-C4' energy: -99.468
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -85.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1009.543669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.543669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.543669 (E_RNA)
where:
Base-Base interactions energy: -649.069
where: short stacking energy: -308.612
Base-Backbone interact. energy: 0.172
local terms energy: -360.647019
where:
bonds (distance) C4'-P energy: -89.427
bonds (distance) P-C4' energy: -73.213
flat angles C4'-P-C4' energy: -74.923
flat angles P-C4'-P energy: -48.804
tors. eta vs tors. theta energy: -74.281
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: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -854.807763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.807763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.807763 (E_RNA)
where:
Base-Base interactions energy: -563.612
where: short stacking energy: -265.175
Base-Backbone interact. energy: 3.138
local terms energy: -294.333710
where:
bonds (distance) C4'-P energy: -57.011
bonds (distance) P-C4' energy: -79.990
flat angles C4'-P-C4' energy: -73.146
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -565.790688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.790688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.790688 (E_RNA)
where:
Base-Base interactions energy: -305.349
where: short stacking energy: -172.908
Base-Backbone interact. energy: 3.743
local terms energy: -264.184723
where:
bonds (distance) C4'-P energy: -77.406
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -506.593350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.593350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.593350 (E_RNA)
where:
Base-Base interactions energy: -261.029
where: short stacking energy: -150.408
Base-Backbone interact. energy: -3.614
local terms energy: -241.950329
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -71.329
flat angles C4'-P-C4' energy: -72.558
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: 10.089
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: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1539.908231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.908231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.908231 (E_RNA)
where:
Base-Base interactions energy: -1048.684
where: short stacking energy: -472.443
Base-Backbone interact. energy: -3.105
local terms energy: -488.119725
where:
bonds (distance) C4'-P energy: -82.933
bonds (distance) P-C4' energy: -96.128
flat angles C4'-P-C4' energy: -104.182
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -134.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1462.630052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.630052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.630052 (E_RNA)
where:
Base-Base interactions energy: -1014.681
where: short stacking energy: -434.574
Base-Backbone interact. energy: 0.305
local terms energy: -448.254620
where:
bonds (distance) C4'-P energy: -84.198
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -97.102
flat angles P-C4'-P energy: -69.233
tors. eta vs tors. theta energy: -107.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1396.770187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.770187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.770187 (E_RNA)
where:
Base-Base interactions energy: -931.695
where: short stacking energy: -413.308
Base-Backbone interact. energy: 1.498
local terms energy: -466.572742
where:
bonds (distance) C4'-P energy: -96.792
bonds (distance) P-C4' energy: -92.995
flat angles C4'-P-C4' energy: -99.324
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -118.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1382.267483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.267483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.267483 (E_RNA)
where:
Base-Base interactions energy: -949.923
where: short stacking energy: -437.518
Base-Backbone interact. energy: -1.928
local terms energy: -430.416611
where:
bonds (distance) C4'-P energy: -82.057
bonds (distance) P-C4' energy: -76.029
flat angles C4'-P-C4' energy: -99.259
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -120.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1164.404118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.404118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.404118 (E_RNA)
where:
Base-Base interactions energy: -794.412
where: short stacking energy: -371.199
Base-Backbone interact. energy: -1.333
local terms energy: -368.659012
where:
bonds (distance) C4'-P energy: -83.765
bonds (distance) P-C4' energy: -74.228
flat angles C4'-P-C4' energy: -88.957
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1117.791613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.791613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.791613 (E_RNA)
where:
Base-Base interactions energy: -719.465
where: short stacking energy: -296.316
Base-Backbone interact. energy: -2.216
local terms energy: -396.110254
where:
bonds (distance) C4'-P energy: -86.520
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -86.946
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -79.448
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: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -988.396697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.396697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.396697 (E_RNA)
where:
Base-Base interactions energy: -619.098
where: short stacking energy: -300.946
Base-Backbone interact. energy: 0.710
local terms energy: -370.009036
where:
bonds (distance) C4'-P energy: -62.903
bonds (distance) P-C4' energy: -78.382
flat angles C4'-P-C4' energy: -82.641
flat angles P-C4'-P energy: -65.235
tors. eta vs tors. theta energy: -80.848
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: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -797.039838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.039838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.039838 (E_RNA)
where:
Base-Base interactions energy: -490.139
where: short stacking energy: -259.444
Base-Backbone interact. energy: -3.204
local terms energy: -303.696227
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -76.654
flat angles C4'-P-C4' energy: -85.699
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -540.452710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.452710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.452710 (E_RNA)
where:
Base-Base interactions energy: -285.143
where: short stacking energy: -167.427
Base-Backbone interact. energy: -0.287
local terms energy: -255.022210
where:
bonds (distance) C4'-P energy: -72.958
bonds (distance) P-C4' energy: -79.721
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: 4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -538.035209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.035209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.035209 (E_RNA)
where:
Base-Base interactions energy: -297.443
where: short stacking energy: -184.701
Base-Backbone interact. energy: -0.270
local terms energy: -240.322631
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -58.045
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1561.221422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.221422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.221422 (E_RNA)
where:
Base-Base interactions energy: -1047.809
where: short stacking energy: -486.787
Base-Backbone interact. energy: -2.574
local terms energy: -510.838025
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -93.557
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -137.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1469.610244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.610244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.610244 (E_RNA)
where:
Base-Base interactions energy: -1021.046
where: short stacking energy: -435.763
Base-Backbone interact. energy: -2.339
local terms energy: -446.224450
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -88.811
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -65.756
tors. eta vs tors. theta energy: -108.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1427.042124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.042124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.042124 (E_RNA)
where:
Base-Base interactions energy: -970.547
where: short stacking energy: -435.368
Base-Backbone interact. energy: -0.731
local terms energy: -455.763824
where:
bonds (distance) C4'-P energy: -79.733
bonds (distance) P-C4' energy: -89.248
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -67.339
tors. eta vs tors. theta energy: -120.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1384.636860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.636860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.636860 (E_RNA)
where:
Base-Base interactions energy: -924.776
where: short stacking energy: -390.857
Base-Backbone interact. energy: -2.433
local terms energy: -457.427146
where:
bonds (distance) C4'-P energy: -93.825
bonds (distance) P-C4' energy: -98.868
flat angles C4'-P-C4' energy: -90.220
flat angles P-C4'-P energy: -60.356
tors. eta vs tors. theta energy: -114.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1200.846130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.846130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.846130 (E_RNA)
where:
Base-Base interactions energy: -803.341
where: short stacking energy: -367.239
Base-Backbone interact. energy: 0.451
local terms energy: -397.955751
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -85.358
flat angles C4'-P-C4' energy: -83.158
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -91.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1142.442039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.442039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.442039 (E_RNA)
where:
Base-Base interactions energy: -746.310
where: short stacking energy: -332.758
Base-Backbone interact. energy: -1.965
local terms energy: -394.166926
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -85.342
flat angles P-C4'-P energy: -64.257
tors. eta vs tors. theta energy: -77.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1012.845242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.845242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.845242 (E_RNA)
where:
Base-Base interactions energy: -641.978
where: short stacking energy: -326.721
Base-Backbone interact. energy: -0.957
local terms energy: -369.910494
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -80.549
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -83.131
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: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -827.196882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.196882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.196882 (E_RNA)
where:
Base-Base interactions energy: -524.304
where: short stacking energy: -249.595
Base-Backbone interact. energy: 2.532
local terms energy: -305.424826
where:
bonds (distance) C4'-P energy: -72.433
bonds (distance) P-C4' energy: -83.626
flat angles C4'-P-C4' energy: -67.902
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -38.672
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: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -561.110777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.110777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.110777 (E_RNA)
where:
Base-Base interactions energy: -299.078
where: short stacking energy: -169.843
Base-Backbone interact. energy: -0.944
local terms energy: -261.088712
where:
bonds (distance) C4'-P energy: -71.660
bonds (distance) P-C4' energy: -81.636
flat angles C4'-P-C4' energy: -65.613
flat angles P-C4'-P energy: -34.962
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -493.490154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.490154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.490154 (E_RNA)
where:
Base-Base interactions energy: -229.475
where: short stacking energy: -138.274
Base-Backbone interact. energy: -2.895
local terms energy: -261.119422
where:
bonds (distance) C4'-P energy: -77.229
bonds (distance) P-C4' energy: -76.203
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -46.244
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1580.926366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.926366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.926366 (E_RNA)
where:
Base-Base interactions energy: -1066.663
where: short stacking energy: -491.529
Base-Backbone interact. energy: -4.784
local terms energy: -509.479270
where:
bonds (distance) C4'-P energy: -99.970
bonds (distance) P-C4' energy: -82.268
flat angles C4'-P-C4' energy: -103.675
flat angles P-C4'-P energy: -78.844
tors. eta vs tors. theta energy: -144.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1480.713101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.713101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.713101 (E_RNA)
where:
Base-Base interactions energy: -1042.259
where: short stacking energy: -445.325
Base-Backbone interact. energy: 4.968
local terms energy: -443.421744
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -91.480
flat angles C4'-P-C4' energy: -99.627
flat angles P-C4'-P energy: -53.467
tors. eta vs tors. theta energy: -107.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1436.172934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.172934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.172934 (E_RNA)
where:
Base-Base interactions energy: -962.496
where: short stacking energy: -440.382
Base-Backbone interact. energy: -3.910
local terms energy: -469.766791
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -90.972
flat angles C4'-P-C4' energy: -104.592
flat angles P-C4'-P energy: -69.642
tors. eta vs tors. theta energy: -117.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1355.135910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.135910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.135910 (E_RNA)
where:
Base-Base interactions energy: -927.112
where: short stacking energy: -408.418
Base-Backbone interact. energy: -1.213
local terms energy: -426.810967
where:
bonds (distance) C4'-P energy: -74.132
bonds (distance) P-C4' energy: -88.466
flat angles C4'-P-C4' energy: -92.551
flat angles P-C4'-P energy: -60.333
tors. eta vs tors. theta energy: -111.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1194.384093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.384093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.384093 (E_RNA)
where:
Base-Base interactions energy: -787.050
where: short stacking energy: -370.023
Base-Backbone interact. energy: 2.117
local terms energy: -409.451593
where:
bonds (distance) C4'-P energy: -91.030
bonds (distance) P-C4' energy: -85.975
flat angles C4'-P-C4' energy: -84.895
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -89.238
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1146.486863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.486863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.486863 (E_RNA)
where:
Base-Base interactions energy: -758.265
where: short stacking energy: -351.449
Base-Backbone interact. energy: 0.206
local terms energy: -388.427362
where:
bonds (distance) C4'-P energy: -81.629
bonds (distance) P-C4' energy: -74.443
flat angles C4'-P-C4' energy: -84.307
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -92.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -989.160060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.160060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.160060 (E_RNA)
where:
Base-Base interactions energy: -619.988
where: short stacking energy: -317.096
Base-Backbone interact. energy: -2.039
local terms energy: -367.133360
where:
bonds (distance) C4'-P energy: -76.170
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -78.848
flat angles P-C4'-P energy: -55.503
tors. eta vs tors. theta energy: -71.839
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: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -865.857841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.857841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.857841 (E_RNA)
where:
Base-Base interactions energy: -568.158
where: short stacking energy: -259.107
Base-Backbone interact. energy: -3.264
local terms energy: -294.435834
where:
bonds (distance) C4'-P energy: -67.272
bonds (distance) P-C4' energy: -62.809
flat angles C4'-P-C4' energy: -70.447
flat angles P-C4'-P energy: -62.427
tors. eta vs tors. theta energy: -31.480
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -517.502203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.502203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.502203 (E_RNA)
where:
Base-Base interactions energy: -264.304
where: short stacking energy: -150.139
Base-Backbone interact. energy: 0.734
local terms energy: -253.932514
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -84.029
flat angles C4'-P-C4' energy: -77.442
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: 9.710
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: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -494.600317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.600317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.600317 (E_RNA)
where:
Base-Base interactions energy: -208.638
where: short stacking energy: -126.700
Base-Backbone interact. energy: 3.913
local terms energy: -289.875493
where:
bonds (distance) C4'-P energy: -101.596
bonds (distance) P-C4' energy: -86.094
flat angles C4'-P-C4' energy: -62.571
flat angles P-C4'-P energy: -55.225
tors. eta vs tors. theta energy: 15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1574.917668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.917668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.917668 (E_RNA)
where:
Base-Base interactions energy: -1072.132
where: short stacking energy: -506.103
Base-Backbone interact. energy: -3.334
local terms energy: -499.452147
where:
bonds (distance) C4'-P energy: -91.676
bonds (distance) P-C4' energy: -90.100
flat angles C4'-P-C4' energy: -101.812
flat angles P-C4'-P energy: -68.791
tors. eta vs tors. theta energy: -147.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1515.376236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.376236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.376236 (E_RNA)
where:
Base-Base interactions energy: -1043.207
where: short stacking energy: -435.873
Base-Backbone interact. energy: -3.872
local terms energy: -468.296754
where:
bonds (distance) C4'-P energy: -93.976
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -96.568
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -121.264
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: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1402.015713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.015713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.015713 (E_RNA)
where:
Base-Base interactions energy: -956.990
where: short stacking energy: -424.198
Base-Backbone interact. energy: 2.848
local terms energy: -447.873824
where:
bonds (distance) C4'-P energy: -86.908
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -105.825
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -114.285
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: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1371.364497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.364497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.364497 (E_RNA)
where:
Base-Base interactions energy: -930.717
where: short stacking energy: -419.927
Base-Backbone interact. energy: 0.204
local terms energy: -440.850546
where:
bonds (distance) C4'-P energy: -66.530
bonds (distance) P-C4' energy: -90.005
flat angles C4'-P-C4' energy: -93.431
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -121.575
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: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1177.615274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.615274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.615274 (E_RNA)
where:
Base-Base interactions energy: -774.564
where: short stacking energy: -339.142
Base-Backbone interact. energy: -1.902
local terms energy: -401.149288
where:
bonds (distance) C4'-P energy: -70.036
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -63.868
tors. eta vs tors. theta energy: -84.960
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1142.684629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.684629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.684629 (E_RNA)
where:
Base-Base interactions energy: -751.317
where: short stacking energy: -370.414
Base-Backbone interact. energy: -0.425
local terms energy: -390.942283
where:
bonds (distance) C4'-P energy: -98.038
bonds (distance) P-C4' energy: -73.740
flat angles C4'-P-C4' energy: -78.482
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -93.638
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: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -963.067256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.067256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.067256 (E_RNA)
where:
Base-Base interactions energy: -600.093
where: short stacking energy: -285.924
Base-Backbone interact. energy: -1.596
local terms energy: -361.378400
where:
bonds (distance) C4'-P energy: -87.456
bonds (distance) P-C4' energy: -79.053
flat angles C4'-P-C4' energy: -74.804
flat angles P-C4'-P energy: -55.889
tors. eta vs tors. theta energy: -64.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -866.519637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.519637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.519637 (E_RNA)
where:
Base-Base interactions energy: -531.309
where: short stacking energy: -252.141
Base-Backbone interact. energy: -5.234
local terms energy: -329.976658
where:
bonds (distance) C4'-P energy: -70.968
bonds (distance) P-C4' energy: -78.316
flat angles C4'-P-C4' energy: -69.901
flat angles P-C4'-P energy: -61.074
tors. eta vs tors. theta energy: -49.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -535.942594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.942594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.942594 (E_RNA)
where:
Base-Base interactions energy: -260.512
where: short stacking energy: -163.212
Base-Backbone interact. energy: 0.601
local terms energy: -276.030892
where:
bonds (distance) C4'-P energy: -73.618
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -507.455063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.455063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.455063 (E_RNA)
where:
Base-Base interactions energy: -251.061
where: short stacking energy: -171.900
Base-Backbone interact. energy: 0.523
local terms energy: -256.917520
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -80.418
flat angles C4'-P-C4' energy: -63.436
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1575.117245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.117245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.117245 (E_RNA)
where:
Base-Base interactions energy: -1079.685
where: short stacking energy: -495.731
Base-Backbone interact. energy: -2.744
local terms energy: -492.687823
where:
bonds (distance) C4'-P energy: -82.039
bonds (distance) P-C4' energy: -86.673
flat angles C4'-P-C4' energy: -106.472
flat angles P-C4'-P energy: -78.894
tors. eta vs tors. theta energy: -138.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1518.948347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.948347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.948347 (E_RNA)
where:
Base-Base interactions energy: -1059.873
where: short stacking energy: -452.817
Base-Backbone interact. energy: -1.291
local terms energy: -457.784517
where:
bonds (distance) C4'-P energy: -85.929
bonds (distance) P-C4' energy: -90.443
flat angles C4'-P-C4' energy: -98.135
flat angles P-C4'-P energy: -66.730
tors. eta vs tors. theta energy: -116.548
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: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1401.574346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.574346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.574346 (E_RNA)
where:
Base-Base interactions energy: -953.818
where: short stacking energy: -410.472
Base-Backbone interact. energy: -4.145
local terms energy: -443.612231
where:
bonds (distance) C4'-P energy: -81.412
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -105.886
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -101.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1378.315743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.315743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.315743 (E_RNA)
where:
Base-Base interactions energy: -948.826
where: short stacking energy: -419.897
Base-Backbone interact. energy: -1.956
local terms energy: -427.533324
where:
bonds (distance) C4'-P energy: -63.060
bonds (distance) P-C4' energy: -87.669
flat angles C4'-P-C4' energy: -90.138
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -122.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1222.546540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.546540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.546540 (E_RNA)
where:
Base-Base interactions energy: -801.028
where: short stacking energy: -364.185
Base-Backbone interact. energy: -0.351
local terms energy: -421.166606
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -82.118
flat angles C4'-P-C4' energy: -103.275
flat angles P-C4'-P energy: -61.034
tors. eta vs tors. theta energy: -95.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1147.592058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.592058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.592058 (E_RNA)
where:
Base-Base interactions energy: -808.076
where: short stacking energy: -312.685
Base-Backbone interact. energy: -2.864
local terms energy: -336.651710
where:
bonds (distance) C4'-P energy: -65.519
bonds (distance) P-C4' energy: -78.797
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -78.470
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: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1014.288093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.288093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.288093 (E_RNA)
where:
Base-Base interactions energy: -659.709
where: short stacking energy: -295.443
Base-Backbone interact. energy: -1.399
local terms energy: -353.180415
where:
bonds (distance) C4'-P energy: -75.758
bonds (distance) P-C4' energy: -80.241
flat angles C4'-P-C4' energy: -74.863
flat angles P-C4'-P energy: -49.545
tors. eta vs tors. theta energy: -72.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -857.222707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.222707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.222707 (E_RNA)
where:
Base-Base interactions energy: -538.337
where: short stacking energy: -273.708
Base-Backbone interact. energy: 2.369
local terms energy: -321.255019
where:
bonds (distance) C4'-P energy: -66.167
bonds (distance) P-C4' energy: -87.469
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -44.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -541.523673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.523673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.523673 (E_RNA)
where:
Base-Base interactions energy: -287.076
where: short stacking energy: -185.500
Base-Backbone interact. energy: 2.543
local terms energy: -256.990679
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -89.159
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -7.421
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: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -487.162327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.162327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.162327 (E_RNA)
where:
Base-Base interactions energy: -232.732
where: short stacking energy: -140.478
Base-Backbone interact. energy: 1.832
local terms energy: -256.262258
where:
bonds (distance) C4'-P energy: -69.928
bonds (distance) P-C4' energy: -72.177
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1581.226741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.226741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.226741 (E_RNA)
where:
Base-Base interactions energy: -1079.783
where: short stacking energy: -487.535
Base-Backbone interact. energy: -2.500
local terms energy: -498.943080
where:
bonds (distance) C4'-P energy: -94.030
bonds (distance) P-C4' energy: -87.007
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -79.175
tors. eta vs tors. theta energy: -137.099
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: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1487.445769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.445769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.445769 (E_RNA)
where:
Base-Base interactions energy: -1051.045
where: short stacking energy: -460.055
Base-Backbone interact. energy: 4.506
local terms energy: -440.906975
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -88.498
flat angles C4'-P-C4' energy: -94.267
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: -117.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1399.789989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.789989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.789989 (E_RNA)
where:
Base-Base interactions energy: -957.667
where: short stacking energy: -413.489
Base-Backbone interact. energy: -0.026
local terms energy: -442.096818
where:
bonds (distance) C4'-P energy: -83.778
bonds (distance) P-C4' energy: -73.944
flat angles C4'-P-C4' energy: -104.013
flat angles P-C4'-P energy: -65.456
tors. eta vs tors. theta energy: -114.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1388.434958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.434958 (E_RNA)
where:
Base-Base interactions energy: -980.774
where: short stacking energy: -440.968
Base-Backbone interact. energy: -5.354
local terms energy: -402.306595
where:
bonds (distance) C4'-P energy: -75.952
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -97.099
flat angles P-C4'-P energy: -56.251
tors. eta vs tors. theta energy: -116.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1208.731202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.731202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.731202 (E_RNA)
where:
Base-Base interactions energy: -796.689
where: short stacking energy: -358.155
Base-Backbone interact. energy: -1.997
local terms energy: -410.045533
where:
bonds (distance) C4'-P energy: -75.092
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -89.141
flat angles P-C4'-P energy: -59.938
tors. eta vs tors. theta energy: -99.092
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: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1128.708395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.708395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.708395 (E_RNA)
where:
Base-Base interactions energy: -761.728
where: short stacking energy: -352.197
Base-Backbone interact. energy: 4.355
local terms energy: -371.335319
where:
bonds (distance) C4'-P energy: -83.560
bonds (distance) P-C4' energy: -71.394
flat angles C4'-P-C4' energy: -93.982
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -70.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -937.806594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.806594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.806594 (E_RNA)
where:
Base-Base interactions energy: -583.647
where: short stacking energy: -298.284
Base-Backbone interact. energy: -0.590
local terms energy: -353.570085
where:
bonds (distance) C4'-P energy: -80.116
bonds (distance) P-C4' energy: -87.796
flat angles C4'-P-C4' energy: -73.642
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -57.734
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -844.811640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.811640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.811640 (E_RNA)
where:
Base-Base interactions energy: -533.056
where: short stacking energy: -241.658
Base-Backbone interact. energy: -0.969
local terms energy: -310.785974
where:
bonds (distance) C4'-P energy: -70.033
bonds (distance) P-C4' energy: -82.241
flat angles C4'-P-C4' energy: -74.283
flat angles P-C4'-P energy: -44.863
tors. eta vs tors. theta energy: -39.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -544.474087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.474087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.474087 (E_RNA)
where:
Base-Base interactions energy: -301.974
where: short stacking energy: -168.539
Base-Backbone interact. energy: -0.090
local terms energy: -242.410500
where:
bonds (distance) C4'-P energy: -77.664
bonds (distance) P-C4' energy: -84.169
flat angles C4'-P-C4' energy: -41.654
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -4.382
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: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -549.143185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.143185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.143185 (E_RNA)
where:
Base-Base interactions energy: -278.737
where: short stacking energy: -154.907
Base-Backbone interact. energy: 1.383
local terms energy: -271.789096
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1594.525207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.525207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.525207 (E_RNA)
where:
Base-Base interactions energy: -1078.294
where: short stacking energy: -519.918
Base-Backbone interact. energy: -3.208
local terms energy: -513.023528
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -98.010
flat angles C4'-P-C4' energy: -106.782
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -142.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1506.550617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.550617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.550617 (E_RNA)
where:
Base-Base interactions energy: -1067.695
where: short stacking energy: -460.192
Base-Backbone interact. energy: 3.382
local terms energy: -442.237152
where:
bonds (distance) C4'-P energy: -78.899
bonds (distance) P-C4' energy: -88.883
flat angles C4'-P-C4' energy: -99.529
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -113.633
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: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1423.341314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.341314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.341314 (E_RNA)
where:
Base-Base interactions energy: -980.989
where: short stacking energy: -464.038
Base-Backbone interact. energy: -1.083
local terms energy: -441.269214
where:
bonds (distance) C4'-P energy: -80.923
bonds (distance) P-C4' energy: -75.693
flat angles C4'-P-C4' energy: -97.702
flat angles P-C4'-P energy: -59.507
tors. eta vs tors. theta energy: -127.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1340.663278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.663278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.663278 (E_RNA)
where:
Base-Base interactions energy: -914.777
where: short stacking energy: -402.281
Base-Backbone interact. energy: -1.018
local terms energy: -424.868157
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -86.996
flat angles C4'-P-C4' energy: -87.021
flat angles P-C4'-P energy: -66.578
tors. eta vs tors. theta energy: -107.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1248.374193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.374193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.374193 (E_RNA)
where:
Base-Base interactions energy: -850.171
where: short stacking energy: -384.348
Base-Backbone interact. energy: 0.086
local terms energy: -398.289597
where:
bonds (distance) C4'-P energy: -72.269
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -80.896
flat angles P-C4'-P energy: -47.764
tors. eta vs tors. theta energy: -108.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1145.228675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.228675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.228675 (E_RNA)
where:
Base-Base interactions energy: -764.247
where: short stacking energy: -366.074
Base-Backbone interact. energy: -0.839
local terms energy: -380.142812
where:
bonds (distance) C4'-P energy: -69.464
bonds (distance) P-C4' energy: -84.087
flat angles C4'-P-C4' energy: -95.167
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -87.176
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: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -977.457870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.457870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.457870 (E_RNA)
where:
Base-Base interactions energy: -596.126
where: short stacking energy: -296.970
Base-Backbone interact. energy: 1.437
local terms energy: -382.768737
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -85.991
flat angles C4'-P-C4' energy: -86.823
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -766.885724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.885724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.885724 (E_RNA)
where:
Base-Base interactions energy: -478.932
where: short stacking energy: -219.656
Base-Backbone interact. energy: 3.602
local terms energy: -291.555317
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -84.641
flat angles C4'-P-C4' energy: -65.482
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -599.590416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.590416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.590416 (E_RNA)
where:
Base-Base interactions energy: -346.451
where: short stacking energy: -188.896
Base-Backbone interact. energy: 3.472
local terms energy: -256.610785
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -69.116
flat angles C4'-P-C4' energy: -66.206
flat angles P-C4'-P energy: -39.703
tors. eta vs tors. theta energy: -17.922
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -559.160700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.160700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.160700 (E_RNA)
where:
Base-Base interactions energy: -307.308
where: short stacking energy: -162.440
Base-Backbone interact. energy: -3.166
local terms energy: -248.687104
where:
bonds (distance) C4'-P energy: -61.414
bonds (distance) P-C4' energy: -80.589
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: -20.139
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: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1576.970005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.970005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.970005 (E_RNA)
where:
Base-Base interactions energy: -1079.763
where: short stacking energy: -507.204
Base-Backbone interact. energy: -2.209
local terms energy: -494.998073
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -109.702
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -141.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1497.691753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.691753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.691753 (E_RNA)
where:
Base-Base interactions energy: -1047.427
where: short stacking energy: -447.956
Base-Backbone interact. energy: 1.826
local terms energy: -452.091517
where:
bonds (distance) C4'-P energy: -71.627
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -103.918
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: -117.565
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: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1456.720203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.720203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.720203 (E_RNA)
where:
Base-Base interactions energy: -991.907
where: short stacking energy: -460.543
Base-Backbone interact. energy: -4.053
local terms energy: -460.760279
where:
bonds (distance) C4'-P energy: -84.979
bonds (distance) P-C4' energy: -90.494
flat angles C4'-P-C4' energy: -98.203
flat angles P-C4'-P energy: -60.982
tors. eta vs tors. theta energy: -126.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1374.234235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.234235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.234235 (E_RNA)
where:
Base-Base interactions energy: -962.088
where: short stacking energy: -416.406
Base-Backbone interact. energy: -3.876
local terms energy: -408.270207
where:
bonds (distance) C4'-P energy: -76.254
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -88.809
flat angles P-C4'-P energy: -58.977
tors. eta vs tors. theta energy: -113.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1247.898376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.898376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.898376 (E_RNA)
where:
Base-Base interactions energy: -826.458
where: short stacking energy: -362.100
Base-Backbone interact. energy: -4.237
local terms energy: -417.203175
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -89.181
flat angles C4'-P-C4' energy: -101.054
flat angles P-C4'-P energy: -57.279
tors. eta vs tors. theta energy: -86.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1135.900516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.900516 (E_RNA)
where:
Base-Base interactions energy: -756.258
where: short stacking energy: -357.982
Base-Backbone interact. energy: 1.614
local terms energy: -381.255806
where:
bonds (distance) C4'-P energy: -74.448
bonds (distance) P-C4' energy: -86.971
flat angles C4'-P-C4' energy: -82.888
flat angles P-C4'-P energy: -47.873
tors. eta vs tors. theta energy: -89.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -936.842903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.842903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.842903 (E_RNA)
where:
Base-Base interactions energy: -605.829
where: short stacking energy: -254.443
Base-Backbone interact. energy: -0.034
local terms energy: -330.980006
where:
bonds (distance) C4'-P energy: -80.412
bonds (distance) P-C4' energy: -66.497
flat angles C4'-P-C4' energy: -84.175
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -46.994
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: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -707.045889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.045889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.045889 (E_RNA)
where:
Base-Base interactions energy: -418.906
where: short stacking energy: -219.495
Base-Backbone interact. energy: -2.637
local terms energy: -285.502339
where:
bonds (distance) C4'-P energy: -68.541
bonds (distance) P-C4' energy: -72.285
flat angles C4'-P-C4' energy: -85.122
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -22.326
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: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -657.748781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.748781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.748781 (E_RNA)
where:
Base-Base interactions energy: -359.490
where: short stacking energy: -198.565
Base-Backbone interact. energy: 0.009
local terms energy: -298.267504
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -81.895
flat angles P-C4'-P energy: -46.417
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -556.508763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.508763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.508763 (E_RNA)
where:
Base-Base interactions energy: -305.559
where: short stacking energy: -178.625
Base-Backbone interact. energy: -0.872
local terms energy: -250.078490
where:
bonds (distance) C4'-P energy: -60.796
bonds (distance) P-C4' energy: -67.798
flat angles C4'-P-C4' energy: -73.481
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -2.764
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: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1562.700529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.700529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.700529 (E_RNA)
where:
Base-Base interactions energy: -1060.163
where: short stacking energy: -494.588
Base-Backbone interact. energy: -2.418
local terms energy: -500.119366
where:
bonds (distance) C4'-P energy: -91.445
bonds (distance) P-C4' energy: -90.431
flat angles C4'-P-C4' energy: -105.356
flat angles P-C4'-P energy: -76.661
tors. eta vs tors. theta energy: -136.225
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: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1520.296694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.296694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.296694 (E_RNA)
where:
Base-Base interactions energy: -1061.214
where: short stacking energy: -470.405
Base-Backbone interact. energy: 0.383
local terms energy: -459.465527
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -89.887
flat angles C4'-P-C4' energy: -98.957
flat angles P-C4'-P energy: -61.914
tors. eta vs tors. theta energy: -114.323
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: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1418.532023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.532023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.532023 (E_RNA)
where:
Base-Base interactions energy: -950.608
where: short stacking energy: -454.466
Base-Backbone interact. energy: -2.548
local terms energy: -465.376411
where:
bonds (distance) C4'-P energy: -77.962
bonds (distance) P-C4' energy: -105.005
flat angles C4'-P-C4' energy: -100.641
flat angles P-C4'-P energy: -68.561
tors. eta vs tors. theta energy: -113.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1379.103645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.103645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.103645 (E_RNA)
where:
Base-Base interactions energy: -921.556
where: short stacking energy: -399.132
Base-Backbone interact. energy: 1.593
local terms energy: -459.139850
where:
bonds (distance) C4'-P energy: -94.154
bonds (distance) P-C4' energy: -95.531
flat angles C4'-P-C4' energy: -98.666
flat angles P-C4'-P energy: -61.359
tors. eta vs tors. theta energy: -109.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1266.348301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.348301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.348301 (E_RNA)
where:
Base-Base interactions energy: -869.637
where: short stacking energy: -407.902
Base-Backbone interact. energy: 2.572
local terms energy: -399.282597
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -81.985
flat angles C4'-P-C4' energy: -91.639
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -103.058
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: 70
Temperature: 1.150000
Total energy: -1070.116863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.116863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.116863 (E_RNA)
where:
Base-Base interactions energy: -698.597
where: short stacking energy: -331.740
Base-Backbone interact. energy: -3.905
local terms energy: -367.615005
where:
bonds (distance) C4'-P energy: -72.963
bonds (distance) P-C4' energy: -78.759
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -81.640
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: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -967.184122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.184122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.184122 (E_RNA)
where:
Base-Base interactions energy: -614.483
where: short stacking energy: -306.768
Base-Backbone interact. energy: 5.486
local terms energy: -358.187504
where:
bonds (distance) C4'-P energy: -77.465
bonds (distance) P-C4' energy: -76.575
flat angles C4'-P-C4' energy: -80.451
flat angles P-C4'-P energy: -53.959
tors. eta vs tors. theta energy: -69.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -759.934237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.934237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.934237 (E_RNA)
where:
Base-Base interactions energy: -453.277
where: short stacking energy: -231.262
Base-Backbone interact. energy: -0.696
local terms energy: -305.961051
where:
bonds (distance) C4'-P energy: -73.204
bonds (distance) P-C4' energy: -64.852
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -52.754
tors. eta vs tors. theta energy: -31.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -662.253336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.253336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.253336 (E_RNA)
where:
Base-Base interactions energy: -396.478
where: short stacking energy: -215.399
Base-Backbone interact. energy: -2.474
local terms energy: -263.301380
where:
bonds (distance) C4'-P energy: -65.826
bonds (distance) P-C4' energy: -77.004
flat angles C4'-P-C4' energy: -61.534
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -509.510342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.510342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.510342 (E_RNA)
where:
Base-Base interactions energy: -265.650
where: short stacking energy: -157.627
Base-Backbone interact. energy: 1.973
local terms energy: -245.833766
where:
bonds (distance) C4'-P energy: -67.994
bonds (distance) P-C4' energy: -66.789
flat angles C4'-P-C4' energy: -61.318
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -9.987
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: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1554.563000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.563000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.563000 (E_RNA)
where:
Base-Base interactions energy: -1048.054
where: short stacking energy: -482.940
Base-Backbone interact. energy: -2.797
local terms energy: -503.712378
where:
bonds (distance) C4'-P energy: -91.774
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -77.660
tors. eta vs tors. theta energy: -134.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1551.397872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.397872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.397872 (E_RNA)
where:
Base-Base interactions energy: -1080.480
where: short stacking energy: -475.814
Base-Backbone interact. energy: 0.962
local terms energy: -471.880712
where:
bonds (distance) C4'-P energy: -81.300
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -105.411
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -115.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1401.948558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.948558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.948558 (E_RNA)
where:
Base-Base interactions energy: -935.816
where: short stacking energy: -429.729
Base-Backbone interact. energy: -3.492
local terms energy: -462.640431
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -84.200
flat angles C4'-P-C4' energy: -102.589
flat angles P-C4'-P energy: -68.736
tors. eta vs tors. theta energy: -108.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1320.301904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.301904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.301904 (E_RNA)
where:
Base-Base interactions energy: -884.413
where: short stacking energy: -395.255
Base-Backbone interact. energy: -1.453
local terms energy: -434.435746
where:
bonds (distance) C4'-P energy: -83.549
bonds (distance) P-C4' energy: -96.493
flat angles C4'-P-C4' energy: -89.576
flat angles P-C4'-P energy: -62.171
tors. eta vs tors. theta energy: -102.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1206.166149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.166149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.166149 (E_RNA)
where:
Base-Base interactions energy: -808.113
where: short stacking energy: -360.062
Base-Backbone interact. energy: -1.212
local terms energy: -396.841587
where:
bonds (distance) C4'-P energy: -76.722
bonds (distance) P-C4' energy: -82.386
flat angles C4'-P-C4' energy: -96.172
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -92.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1120.477383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.477383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.477383 (E_RNA)
where:
Base-Base interactions energy: -758.452
where: short stacking energy: -335.047
Base-Backbone interact. energy: -0.310
local terms energy: -361.715428
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -73.250
flat angles C4'-P-C4' energy: -80.905
flat angles P-C4'-P energy: -56.083
tors. eta vs tors. theta energy: -80.575
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: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -996.302076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.302076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.302076 (E_RNA)
where:
Base-Base interactions energy: -649.717
where: short stacking energy: -317.602
Base-Backbone interact. energy: -0.656
local terms energy: -345.929100
where:
bonds (distance) C4'-P energy: -62.960
bonds (distance) P-C4' energy: -74.968
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -56.358
tors. eta vs tors. theta energy: -73.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -863.293978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.293978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.293978 (E_RNA)
where:
Base-Base interactions energy: -512.263
where: short stacking energy: -239.941
Base-Backbone interact. energy: -0.199
local terms energy: -350.832430
where:
bonds (distance) C4'-P energy: -74.044
bonds (distance) P-C4' energy: -79.198
flat angles C4'-P-C4' energy: -88.496
flat angles P-C4'-P energy: -49.773
tors. eta vs tors. theta energy: -59.321
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: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -629.323713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.323713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.323713 (E_RNA)
where:
Base-Base interactions energy: -344.934
where: short stacking energy: -190.485
Base-Backbone interact. energy: 0.425
local terms energy: -284.814678
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -93.367
flat angles C4'-P-C4' energy: -52.295
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -25.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -485.165007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.165007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.165007 (E_RNA)
where:
Base-Base interactions energy: -222.800
where: short stacking energy: -131.845
Base-Backbone interact. energy: -0.555
local terms energy: -261.810042
where:
bonds (distance) C4'-P energy: -83.424
bonds (distance) P-C4' energy: -75.739
flat angles C4'-P-C4' energy: -69.754
flat angles P-C4'-P energy: -49.194
tors. eta vs tors. theta energy: 16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1554.715458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.715458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.715458 (E_RNA)
where:
Base-Base interactions energy: -1059.353
where: short stacking energy: -450.987
Base-Backbone interact. energy: -1.786
local terms energy: -493.576353
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -91.258
flat angles C4'-P-C4' energy: -101.376
flat angles P-C4'-P energy: -84.404
tors. eta vs tors. theta energy: -127.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1523.006452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.006452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.006452 (E_RNA)
where:
Base-Base interactions energy: -1039.492
where: short stacking energy: -480.821
Base-Backbone interact. energy: -1.634
local terms energy: -481.880770
where:
bonds (distance) C4'-P energy: -89.786
bonds (distance) P-C4' energy: -92.251
flat angles C4'-P-C4' energy: -100.594
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -137.277
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: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1427.997571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.997571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.997571 (E_RNA)
where:
Base-Base interactions energy: -978.567
where: short stacking energy: -460.474
Base-Backbone interact. energy: -1.085
local terms energy: -448.345259
where:
bonds (distance) C4'-P energy: -76.488
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -99.044
flat angles P-C4'-P energy: -70.430
tors. eta vs tors. theta energy: -122.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1344.624401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.624401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.624401 (E_RNA)
where:
Base-Base interactions energy: -916.079
where: short stacking energy: -387.167
Base-Backbone interact. energy: -3.128
local terms energy: -425.418246
where:
bonds (distance) C4'-P energy: -83.042
bonds (distance) P-C4' energy: -92.977
flat angles C4'-P-C4' energy: -86.461
flat angles P-C4'-P energy: -57.807
tors. eta vs tors. theta energy: -105.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1248.603653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.603653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.603653 (E_RNA)
where:
Base-Base interactions energy: -825.294
where: short stacking energy: -401.504
Base-Backbone interact. energy: 0.311
local terms energy: -423.620873
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -83.516
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -64.434
tors. eta vs tors. theta energy: -104.194
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: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1119.494919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.494919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.494919 (E_RNA)
where:
Base-Base interactions energy: -767.517
where: short stacking energy: -331.902
Base-Backbone interact. energy: -2.255
local terms energy: -349.722675
where:
bonds (distance) C4'-P energy: -73.909
bonds (distance) P-C4' energy: -74.242
flat angles C4'-P-C4' energy: -71.446
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1026.704924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.704924 (E_RNA)
where:
Base-Base interactions energy: -668.627
where: short stacking energy: -327.250
Base-Backbone interact. energy: -2.894
local terms energy: -355.184457
where:
bonds (distance) C4'-P energy: -74.467
bonds (distance) P-C4' energy: -82.029
flat angles C4'-P-C4' energy: -83.441
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -67.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -847.701485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.701485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.701485 (E_RNA)
where:
Base-Base interactions energy: -531.916
where: short stacking energy: -241.280
Base-Backbone interact. energy: -4.441
local terms energy: -311.345029
where:
bonds (distance) C4'-P energy: -82.065
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -69.469
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -41.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -685.641277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.641277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.641277 (E_RNA)
where:
Base-Base interactions energy: -404.277
where: short stacking energy: -219.078
Base-Backbone interact. energy: -0.694
local terms energy: -280.670594
where:
bonds (distance) C4'-P energy: -69.173
bonds (distance) P-C4' energy: -63.151
flat angles C4'-P-C4' energy: -84.242
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -30.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -526.486729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.486729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.486729 (E_RNA)
where:
Base-Base interactions energy: -261.076
where: short stacking energy: -175.528
Base-Backbone interact. energy: 7.370
local terms energy: -272.780005
where:
bonds (distance) C4'-P energy: -67.033
bonds (distance) P-C4' energy: -94.341
flat angles C4'-P-C4' energy: -66.290
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -3.180
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: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1549.686815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.686815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.686815 (E_RNA)
where:
Base-Base interactions energy: -1068.228
where: short stacking energy: -467.884
Base-Backbone interact. energy: -1.676
local terms energy: -479.782041
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -83.345
flat angles C4'-P-C4' energy: -105.553
flat angles P-C4'-P energy: -74.976
tors. eta vs tors. theta energy: -125.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1509.397623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.397623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.397623 (E_RNA)
where:
Base-Base interactions energy: -1018.273
where: short stacking energy: -470.583
Base-Backbone interact. energy: -3.211
local terms energy: -487.913877
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -83.684
flat angles C4'-P-C4' energy: -105.833
flat angles P-C4'-P energy: -81.255
tors. eta vs tors. theta energy: -123.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1442.304560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.304560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.304560 (E_RNA)
where:
Base-Base interactions energy: -973.711
where: short stacking energy: -446.789
Base-Backbone interact. energy: -1.639
local terms energy: -466.954159
where:
bonds (distance) C4'-P energy: -81.711
bonds (distance) P-C4' energy: -94.715
flat angles C4'-P-C4' energy: -102.807
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -126.003
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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1357.543125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.543125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.543125 (E_RNA)
where:
Base-Base interactions energy: -921.032
where: short stacking energy: -420.028
Base-Backbone interact. energy: -0.838
local terms energy: -435.672791
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -86.639
flat angles C4'-P-C4' energy: -93.981
flat angles P-C4'-P energy: -53.795
tors. eta vs tors. theta energy: -106.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1207.827864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.827864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.827864 (E_RNA)
where:
Base-Base interactions energy: -800.171
where: short stacking energy: -379.395
Base-Backbone interact. energy: -0.358
local terms energy: -407.299740
where:
bonds (distance) C4'-P energy: -67.627
bonds (distance) P-C4' energy: -81.828
flat angles C4'-P-C4' energy: -103.390
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -103.514
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: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1113.716029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.716029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.716029 (E_RNA)
where:
Base-Base interactions energy: -754.337
where: short stacking energy: -352.564
Base-Backbone interact. energy: 1.426
local terms energy: -360.804216
where:
bonds (distance) C4'-P energy: -69.592
bonds (distance) P-C4' energy: -76.385
flat angles C4'-P-C4' energy: -76.821
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -81.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1013.126482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.126482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.126482 (E_RNA)
where:
Base-Base interactions energy: -628.757
where: short stacking energy: -308.533
Base-Backbone interact. energy: -3.829
local terms energy: -380.541285
where:
bonds (distance) C4'-P energy: -73.675
bonds (distance) P-C4' energy: -89.158
flat angles C4'-P-C4' energy: -83.948
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: -78.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -861.227798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.227798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.227798 (E_RNA)
where:
Base-Base interactions energy: -529.035
where: short stacking energy: -267.935
Base-Backbone interact. energy: -0.291
local terms energy: -331.901819
where:
bonds (distance) C4'-P energy: -64.973
bonds (distance) P-C4' energy: -76.711
flat angles C4'-P-C4' energy: -80.650
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -53.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -709.655312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.655312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.655312 (E_RNA)
where:
Base-Base interactions energy: -400.660
where: short stacking energy: -221.635
Base-Backbone interact. energy: -0.332
local terms energy: -308.662807
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -92.896
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -45.063
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -532.454014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.454014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.454014 (E_RNA)
where:
Base-Base interactions energy: -267.133
where: short stacking energy: -166.004
Base-Backbone interact. energy: -1.173
local terms energy: -264.148042
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -79.290
flat angles C4'-P-C4' energy: -72.492
flat angles P-C4'-P energy: -51.860
tors. eta vs tors. theta energy: -2.408
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: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1549.260974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.260974 (E_RNA)
where:
Base-Base interactions energy: -1079.008
where: short stacking energy: -460.853
Base-Backbone interact. energy: 0.395
local terms energy: -470.648066
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -89.831
flat angles C4'-P-C4' energy: -105.356
flat angles P-C4'-P energy: -65.748
tors. eta vs tors. theta energy: -114.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1513.792180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.792180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.792180 (E_RNA)
where:
Base-Base interactions energy: -1027.279
where: short stacking energy: -471.031
Base-Backbone interact. energy: -3.120
local terms energy: -483.393305
where:
bonds (distance) C4'-P energy: -99.945
bonds (distance) P-C4' energy: -88.165
flat angles C4'-P-C4' energy: -95.195
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -129.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1381.311208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.311208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.311208 (E_RNA)
where:
Base-Base interactions energy: -959.789
where: short stacking energy: -406.855
Base-Backbone interact. energy: 1.669
local terms energy: -423.191126
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -89.310
flat angles C4'-P-C4' energy: -88.677
flat angles P-C4'-P energy: -57.152
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1360.445295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.445295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.445295 (E_RNA)
where:
Base-Base interactions energy: -907.202
where: short stacking energy: -412.601
Base-Backbone interact. energy: -0.791
local terms energy: -452.451714
where:
bonds (distance) C4'-P energy: -87.489
bonds (distance) P-C4' energy: -89.904
flat angles C4'-P-C4' energy: -98.961
flat angles P-C4'-P energy: -63.868
tors. eta vs tors. theta energy: -112.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1236.194334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.194334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.194334 (E_RNA)
where:
Base-Base interactions energy: -836.833
where: short stacking energy: -380.130
Base-Backbone interact. energy: -0.094
local terms energy: -399.268196
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -79.024
flat angles C4'-P-C4' energy: -88.472
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -91.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1137.681629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.681629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.681629 (E_RNA)
where:
Base-Base interactions energy: -745.383
where: short stacking energy: -328.837
Base-Backbone interact. energy: -0.799
local terms energy: -391.499540
where:
bonds (distance) C4'-P energy: -81.137
bonds (distance) P-C4' energy: -85.481
flat angles C4'-P-C4' energy: -96.590
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -75.408
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -967.554594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.554594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.554594 (E_RNA)
where:
Base-Base interactions energy: -592.251
where: short stacking energy: -281.384
Base-Backbone interact. energy: -1.192
local terms energy: -374.111187
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -78.764
flat angles C4'-P-C4' energy: -83.816
flat angles P-C4'-P energy: -60.194
tors. eta vs tors. theta energy: -78.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -849.784380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.784380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.784380 (E_RNA)
where:
Base-Base interactions energy: -538.811
where: short stacking energy: -276.634
Base-Backbone interact. energy: 0.911
local terms energy: -311.884005
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -75.326
flat angles C4'-P-C4' energy: -84.562
flat angles P-C4'-P energy: -40.110
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -641.026437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.026437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.026437 (E_RNA)
where:
Base-Base interactions energy: -345.889
where: short stacking energy: -205.077
Base-Backbone interact. energy: 5.760
local terms energy: -300.897049
where:
bonds (distance) C4'-P energy: -83.544
bonds (distance) P-C4' energy: -76.165
flat angles C4'-P-C4' energy: -81.372
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -22.525
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -542.457013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.457013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.457013 (E_RNA)
where:
Base-Base interactions energy: -284.097
where: short stacking energy: -146.867
Base-Backbone interact. energy: 0.214
local terms energy: -258.573331
where:
bonds (distance) C4'-P energy: -77.038
bonds (distance) P-C4' energy: -74.580
flat angles C4'-P-C4' energy: -65.846
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: -6.887
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: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1563.797741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.797741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.797741 (E_RNA)
where:
Base-Base interactions energy: -1090.052
where: short stacking energy: -461.499
Base-Backbone interact. energy: 0.844
local terms energy: -474.589699
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -92.943
flat angles C4'-P-C4' energy: -101.080
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -121.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1508.347930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.347930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.347930 (E_RNA)
where:
Base-Base interactions energy: -1028.091
where: short stacking energy: -482.066
Base-Backbone interact. energy: -0.960
local terms energy: -479.296680
where:
bonds (distance) C4'-P energy: -80.750
bonds (distance) P-C4' energy: -91.185
flat angles C4'-P-C4' energy: -106.093
flat angles P-C4'-P energy: -79.741
tors. eta vs tors. theta energy: -121.529
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: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1410.329193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.329193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.329193 (E_RNA)
where:
Base-Base interactions energy: -956.750
where: short stacking energy: -412.549
Base-Backbone interact. energy: -2.337
local terms energy: -451.242529
where:
bonds (distance) C4'-P energy: -93.293
bonds (distance) P-C4' energy: -84.090
flat angles C4'-P-C4' energy: -98.111
flat angles P-C4'-P energy: -59.345
tors. eta vs tors. theta energy: -116.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1398.058573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.058573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.058573 (E_RNA)
where:
Base-Base interactions energy: -961.506
where: short stacking energy: -430.886
Base-Backbone interact. energy: 0.459
local terms energy: -437.011216
where:
bonds (distance) C4'-P energy: -84.483
bonds (distance) P-C4' energy: -88.538
flat angles C4'-P-C4' energy: -82.575
flat angles P-C4'-P energy: -72.696
tors. eta vs tors. theta energy: -108.719
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: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1268.193929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.193929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.193929 (E_RNA)
where:
Base-Base interactions energy: -837.264
where: short stacking energy: -394.274
Base-Backbone interact. energy: -0.640
local terms energy: -430.290400
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -84.706
flat angles C4'-P-C4' energy: -94.329
flat angles P-C4'-P energy: -57.512
tors. eta vs tors. theta energy: -104.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1170.469568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.469568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.469568 (E_RNA)
where:
Base-Base interactions energy: -790.996
where: short stacking energy: -353.428
Base-Backbone interact. energy: -3.077
local terms energy: -376.396349
where:
bonds (distance) C4'-P energy: -79.075
bonds (distance) P-C4' energy: -75.484
flat angles C4'-P-C4' energy: -85.375
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -81.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -988.257870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.257870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.257870 (E_RNA)
where:
Base-Base interactions energy: -634.627
where: short stacking energy: -283.371
Base-Backbone interact. energy: -2.811
local terms energy: -350.819284
where:
bonds (distance) C4'-P energy: -77.117
bonds (distance) P-C4' energy: -88.184
flat angles C4'-P-C4' energy: -72.423
flat angles P-C4'-P energy: -43.188
tors. eta vs tors. theta energy: -69.908
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: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -744.895870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.895870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.895870 (E_RNA)
where:
Base-Base interactions energy: -456.780
where: short stacking energy: -208.372
Base-Backbone interact. energy: 0.611
local terms energy: -288.726912
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -80.683
flat angles C4'-P-C4' energy: -72.795
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -32.516
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: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -645.567281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.567281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.567281 (E_RNA)
where:
Base-Base interactions energy: -372.516
where: short stacking energy: -202.506
Base-Backbone interact. energy: 1.201
local terms energy: -274.252505
where:
bonds (distance) C4'-P energy: -57.785
bonds (distance) P-C4' energy: -87.217
flat angles C4'-P-C4' energy: -69.707
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -484.628258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.628258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.628258 (E_RNA)
where:
Base-Base interactions energy: -247.251
where: short stacking energy: -132.083
Base-Backbone interact. energy: 5.112
local terms energy: -242.489877
where:
bonds (distance) C4'-P energy: -82.901
bonds (distance) P-C4' energy: -74.585
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: 8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1584.217008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.217008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.217008 (E_RNA)
where:
Base-Base interactions energy: -1111.990
where: short stacking energy: -465.111
Base-Backbone interact. energy: 0.807
local terms energy: -473.034440
where:
bonds (distance) C4'-P energy: -84.613
bonds (distance) P-C4' energy: -93.278
flat angles C4'-P-C4' energy: -111.072
flat angles P-C4'-P energy: -65.487
tors. eta vs tors. theta energy: -118.584
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: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1492.759621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.759621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.759621 (E_RNA)
where:
Base-Base interactions energy: -1023.361
where: short stacking energy: -459.827
Base-Backbone interact. energy: -4.353
local terms energy: -465.046160
where:
bonds (distance) C4'-P energy: -89.678
bonds (distance) P-C4' energy: -99.438
flat angles C4'-P-C4' energy: -100.270
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -113.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1386.992935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.992935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.992935 (E_RNA)
where:
Base-Base interactions energy: -939.783
where: short stacking energy: -448.490
Base-Backbone interact. energy: -2.176
local terms energy: -445.033409
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -92.487
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -61.299
tors. eta vs tors. theta energy: -113.050
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1409.516936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.516936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.516936 (E_RNA)
where:
Base-Base interactions energy: -958.935
where: short stacking energy: -404.029
Base-Backbone interact. energy: -2.171
local terms energy: -448.410442
where:
bonds (distance) C4'-P energy: -92.412
bonds (distance) P-C4' energy: -88.899
flat angles C4'-P-C4' energy: -100.564
flat angles P-C4'-P energy: -53.446
tors. eta vs tors. theta energy: -113.089
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: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1263.219087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.219087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.219087 (E_RNA)
where:
Base-Base interactions energy: -846.277
where: short stacking energy: -385.330
Base-Backbone interact. energy: -1.023
local terms energy: -415.919460
where:
bonds (distance) C4'-P energy: -83.291
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -92.714
flat angles P-C4'-P energy: -52.487
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: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1167.471783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.471783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.471783 (E_RNA)
where:
Base-Base interactions energy: -771.374
where: short stacking energy: -361.151
Base-Backbone interact. energy: -3.133
local terms energy: -392.964953
where:
bonds (distance) C4'-P energy: -91.100
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -89.924
flat angles P-C4'-P energy: -54.459
tors. eta vs tors. theta energy: -94.060
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: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1015.599000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.599000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.599000 (E_RNA)
where:
Base-Base interactions energy: -630.642
where: short stacking energy: -324.909
Base-Backbone interact. energy: -1.654
local terms energy: -383.302907
where:
bonds (distance) C4'-P energy: -87.901
bonds (distance) P-C4' energy: -74.816
flat angles C4'-P-C4' energy: -85.761
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -76.975
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: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -762.406116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.406116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.406116 (E_RNA)
where:
Base-Base interactions energy: -449.942
where: short stacking energy: -220.427
Base-Backbone interact. energy: 0.669
local terms energy: -313.133842
where:
bonds (distance) C4'-P energy: -74.337
bonds (distance) P-C4' energy: -84.859
flat angles C4'-P-C4' energy: -81.875
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -667.388857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.388857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.388857 (E_RNA)
where:
Base-Base interactions energy: -382.524
where: short stacking energy: -210.324
Base-Backbone interact. energy: 0.760
local terms energy: -285.624425
where:
bonds (distance) C4'-P energy: -72.160
bonds (distance) P-C4' energy: -78.674
flat angles C4'-P-C4' energy: -85.582
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -505.993186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.993186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.993186 (E_RNA)
where:
Base-Base interactions energy: -263.411
where: short stacking energy: -157.709
Base-Backbone interact. energy: -1.222
local terms energy: -241.360745
where:
bonds (distance) C4'-P energy: -53.550
bonds (distance) P-C4' energy: -74.155
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -6.539
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: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1565.134165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.134165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.134165 (E_RNA)
where:
Base-Base interactions energy: -1097.699
where: short stacking energy: -486.688
Base-Backbone interact. energy: -1.922
local terms energy: -465.513334
where:
bonds (distance) C4'-P energy: -85.044
bonds (distance) P-C4' energy: -87.500
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -58.054
tors. eta vs tors. theta energy: -129.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1521.994313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.994313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.994313 (E_RNA)
where:
Base-Base interactions energy: -1066.009
where: short stacking energy: -455.047
Base-Backbone interact. energy: -1.982
local terms energy: -454.003587
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -101.923
flat angles C4'-P-C4' energy: -100.259
flat angles P-C4'-P energy: -53.536
tors. eta vs tors. theta energy: -130.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1409.715313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.715313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.715313 (E_RNA)
where:
Base-Base interactions energy: -945.071
where: short stacking energy: -429.645
Base-Backbone interact. energy: -0.623
local terms energy: -464.021061
where:
bonds (distance) C4'-P energy: -85.758
bonds (distance) P-C4' energy: -85.409
flat angles C4'-P-C4' energy: -97.297
flat angles P-C4'-P energy: -70.820
tors. eta vs tors. theta energy: -124.738
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1413.265878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.265878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.265878 (E_RNA)
where:
Base-Base interactions energy: -953.688
where: short stacking energy: -392.478
Base-Backbone interact. energy: -4.029
local terms energy: -455.549410
where:
bonds (distance) C4'-P energy: -83.089
bonds (distance) P-C4' energy: -96.724
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -63.152
tors. eta vs tors. theta energy: -119.429
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1224.038595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.038595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.038595 (E_RNA)
where:
Base-Base interactions energy: -817.763
where: short stacking energy: -372.527
Base-Backbone interact. energy: 4.310
local terms energy: -410.586179
where:
bonds (distance) C4'-P energy: -84.133
bonds (distance) P-C4' energy: -87.408
flat angles C4'-P-C4' energy: -90.482
flat angles P-C4'-P energy: -57.667
tors. eta vs tors. theta energy: -90.896
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1141.369427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.369427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.369427 (E_RNA)
where:
Base-Base interactions energy: -762.727
where: short stacking energy: -330.683
Base-Backbone interact. energy: -2.263
local terms energy: -376.379582
where:
bonds (distance) C4'-P energy: -70.627
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -76.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1000.860303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.860303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.860303 (E_RNA)
where:
Base-Base interactions energy: -638.456
where: short stacking energy: -301.485
Base-Backbone interact. energy: -4.356
local terms energy: -358.048688
where:
bonds (distance) C4'-P energy: -79.065
bonds (distance) P-C4' energy: -84.064
flat angles C4'-P-C4' energy: -80.621
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -64.158
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: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -749.518190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.518190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.518190 (E_RNA)
where:
Base-Base interactions energy: -445.333
where: short stacking energy: -200.570
Base-Backbone interact. energy: -1.238
local terms energy: -302.947612
where:
bonds (distance) C4'-P energy: -71.749
bonds (distance) P-C4' energy: -86.650
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -591.180540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.180540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.180540 (E_RNA)
where:
Base-Base interactions energy: -313.006
where: short stacking energy: -152.375
Base-Backbone interact. energy: 6.811
local terms energy: -284.985791
where:
bonds (distance) C4'-P energy: -73.204
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -10.999
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -537.996644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.996644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.996644 (E_RNA)
where:
Base-Base interactions energy: -273.590
where: short stacking energy: -166.832
Base-Backbone interact. energy: -1.597
local terms energy: -262.809771
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -85.719
flat angles C4'-P-C4' energy: -66.173
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -1.251
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1569.180517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.180517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.180517 (E_RNA)
where:
Base-Base interactions energy: -1085.336
where: short stacking energy: -488.833
Base-Backbone interact. energy: -2.457
local terms energy: -481.387452
where:
bonds (distance) C4'-P energy: -94.605
bonds (distance) P-C4' energy: -90.958
flat angles C4'-P-C4' energy: -99.852
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -123.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1551.019512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.019512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.019512 (E_RNA)
where:
Base-Base interactions energy: -1069.807
where: short stacking energy: -488.270
Base-Backbone interact. energy: -1.887
local terms energy: -479.325803
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -89.784
flat angles C4'-P-C4' energy: -102.061
flat angles P-C4'-P energy: -69.040
tors. eta vs tors. theta energy: -137.394
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: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1448.913174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.913174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.913174 (E_RNA)
where:
Base-Base interactions energy: -1013.364
where: short stacking energy: -411.409
Base-Backbone interact. energy: -1.575
local terms energy: -433.974488
where:
bonds (distance) C4'-P energy: -79.930
bonds (distance) P-C4' energy: -83.138
flat angles C4'-P-C4' energy: -97.969
flat angles P-C4'-P energy: -63.517
tors. eta vs tors. theta energy: -109.420
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1357.942110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.942110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.942110 (E_RNA)
where:
Base-Base interactions energy: -926.143
where: short stacking energy: -410.894
Base-Backbone interact. energy: -1.098
local terms energy: -430.701530
where:
bonds (distance) C4'-P energy: -74.138
bonds (distance) P-C4' energy: -70.356
flat angles C4'-P-C4' energy: -97.660
flat angles P-C4'-P energy: -68.327
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: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1259.262438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.262438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.262438 (E_RNA)
where:
Base-Base interactions energy: -846.187
where: short stacking energy: -394.049
Base-Backbone interact. energy: -0.107
local terms energy: -412.968434
where:
bonds (distance) C4'-P energy: -78.788
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -94.038
flat angles P-C4'-P energy: -57.746
tors. eta vs tors. theta energy: -104.573
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: 78
Temperature: 1.150000
Total energy: -1178.789566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.789566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.789566 (E_RNA)
where:
Base-Base interactions energy: -771.401
where: short stacking energy: -334.870
Base-Backbone interact. energy: -1.130
local terms energy: -406.258417
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -86.488
flat angles C4'-P-C4' energy: -90.547
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -90.573
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: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1008.210765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.210765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.210765 (E_RNA)
where:
Base-Base interactions energy: -641.306
where: short stacking energy: -320.441
Base-Backbone interact. energy: -1.586
local terms energy: -365.318283
where:
bonds (distance) C4'-P energy: -81.417
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -76.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -723.759356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.759356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.759356 (E_RNA)
where:
Base-Base interactions energy: -417.556
where: short stacking energy: -219.327
Base-Backbone interact. energy: -0.241
local terms energy: -305.962544
where:
bonds (distance) C4'-P energy: -81.008
bonds (distance) P-C4' energy: -82.230
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -559.995093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.995093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.995093 (E_RNA)
where:
Base-Base interactions energy: -264.328
where: short stacking energy: -184.655
Base-Backbone interact. energy: -0.625
local terms energy: -295.042145
where:
bonds (distance) C4'-P energy: -78.581
bonds (distance) P-C4' energy: -78.417
flat angles C4'-P-C4' energy: -68.450
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -615.079798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.079798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.079798 (E_RNA)
where:
Base-Base interactions energy: -376.786
where: short stacking energy: -194.720
Base-Backbone interact. energy: 7.655
local terms energy: -245.948668
where:
bonds (distance) C4'-P energy: -76.487
bonds (distance) P-C4' energy: -63.454
flat angles C4'-P-C4' energy: -68.443
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -19.079
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1562.278287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.278287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.278287 (E_RNA)
where:
Base-Base interactions energy: -1064.661
where: short stacking energy: -472.342
Base-Backbone interact. energy: -0.862
local terms energy: -496.756127
where:
bonds (distance) C4'-P energy: -96.434
bonds (distance) P-C4' energy: -95.251
flat angles C4'-P-C4' energy: -110.478
flat angles P-C4'-P energy: -65.691
tors. eta vs tors. theta energy: -128.902
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: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1529.044845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.044845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.044845 (E_RNA)
where:
Base-Base interactions energy: -1023.989
where: short stacking energy: -445.700
Base-Backbone interact. energy: -5.329
local terms energy: -499.726933
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -95.724
flat angles C4'-P-C4' energy: -102.107
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -137.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1458.920141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.920141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.920141 (E_RNA)
where:
Base-Base interactions energy: -1007.463
where: short stacking energy: -430.279
Base-Backbone interact. energy: -2.750
local terms energy: -448.706259
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -88.214
flat angles C4'-P-C4' energy: -82.588
flat angles P-C4'-P energy: -71.419
tors. eta vs tors. theta energy: -118.366
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1360.497755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.497755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.497755 (E_RNA)
where:
Base-Base interactions energy: -936.678
where: short stacking energy: -417.648
Base-Backbone interact. energy: -0.880
local terms energy: -422.939845
where:
bonds (distance) C4'-P energy: -83.656
bonds (distance) P-C4' energy: -83.247
flat angles C4'-P-C4' energy: -81.701
flat angles P-C4'-P energy: -63.558
tors. eta vs tors. theta energy: -110.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1248.496766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.496766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.496766 (E_RNA)
where:
Base-Base interactions energy: -831.959
where: short stacking energy: -363.833
Base-Backbone interact. energy: -1.443
local terms energy: -415.094297
where:
bonds (distance) C4'-P energy: -81.410
bonds (distance) P-C4' energy: -74.609
flat angles C4'-P-C4' energy: -96.957
flat angles P-C4'-P energy: -59.005
tors. eta vs tors. theta energy: -103.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1195.527295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.527295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.527295 (E_RNA)
where:
Base-Base interactions energy: -807.643
where: short stacking energy: -360.127
Base-Backbone interact. energy: -3.606
local terms energy: -384.277752
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -75.130
flat angles C4'-P-C4' energy: -87.748
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -88.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1048.235924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.235924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.235924 (E_RNA)
where:
Base-Base interactions energy: -669.114
where: short stacking energy: -319.973
Base-Backbone interact. energy: 4.265
local terms energy: -383.386659
where:
bonds (distance) C4'-P energy: -84.389
bonds (distance) P-C4' energy: -83.503
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -60.449
tors. eta vs tors. theta energy: -82.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -699.078194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.078194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.078194 (E_RNA)
where:
Base-Base interactions energy: -428.657
where: short stacking energy: -234.020
Base-Backbone interact. energy: 3.835
local terms energy: -274.255862
where:
bonds (distance) C4'-P energy: -86.738
bonds (distance) P-C4' energy: -56.940
flat angles C4'-P-C4' energy: -77.860
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -30.685
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -547.636880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.636880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.636880 (E_RNA)
where:
Base-Base interactions energy: -271.238
where: short stacking energy: -177.480
Base-Backbone interact. energy: 2.438
local terms energy: -278.836988
where:
bonds (distance) C4'-P energy: -75.433
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -76.812
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -15.875
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: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -608.186427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.186427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.186427 (E_RNA)
where:
Base-Base interactions energy: -329.082
where: short stacking energy: -193.086
Base-Backbone interact. energy: -2.570
local terms energy: -276.534889
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -81.158
flat angles C4'-P-C4' energy: -76.722
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -10.352
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: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1551.716829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.716829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.716829 (E_RNA)
where:
Base-Base interactions energy: -1045.886
where: short stacking energy: -470.113
Base-Backbone interact. energy: -3.468
local terms energy: -502.363147
where:
bonds (distance) C4'-P energy: -90.293
bonds (distance) P-C4' energy: -99.155
flat angles C4'-P-C4' energy: -106.082
flat angles P-C4'-P energy: -74.977
tors. eta vs tors. theta energy: -131.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1517.970970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.970970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.970970 (E_RNA)
where:
Base-Base interactions energy: -1044.833
where: short stacking energy: -480.290
Base-Backbone interact. energy: -2.193
local terms energy: -470.944872
where:
bonds (distance) C4'-P energy: -80.182
bonds (distance) P-C4' energy: -91.069
flat angles C4'-P-C4' energy: -103.248
flat angles P-C4'-P energy: -60.296
tors. eta vs tors. theta energy: -136.150
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: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1430.314665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.314665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.314665 (E_RNA)
where:
Base-Base interactions energy: -980.221
where: short stacking energy: -426.532
Base-Backbone interact. energy: -4.019
local terms energy: -446.075229
where:
bonds (distance) C4'-P energy: -88.232
bonds (distance) P-C4' energy: -81.834
flat angles C4'-P-C4' energy: -97.363
flat angles P-C4'-P energy: -60.001
tors. eta vs tors. theta energy: -118.647
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: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1423.966673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.966673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.966673 (E_RNA)
where:
Base-Base interactions energy: -979.532
where: short stacking energy: -444.000
Base-Backbone interact. energy: -0.277
local terms energy: -444.158499
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -86.348
flat angles C4'-P-C4' energy: -101.711
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -114.691
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: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1228.663390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.663390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.663390 (E_RNA)
where:
Base-Base interactions energy: -812.877
where: short stacking energy: -383.931
Base-Backbone interact. energy: 0.259
local terms energy: -416.045879
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -93.530
flat angles P-C4'-P energy: -56.689
tors. eta vs tors. theta energy: -96.516
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: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1199.867230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.867230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.867230 (E_RNA)
where:
Base-Base interactions energy: -833.867
where: short stacking energy: -359.163
Base-Backbone interact. energy: -2.006
local terms energy: -363.994236
where:
bonds (distance) C4'-P energy: -77.516
bonds (distance) P-C4' energy: -76.778
flat angles C4'-P-C4' energy: -85.274
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -86.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1084.094035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.094035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.094035 (E_RNA)
where:
Base-Base interactions energy: -725.788
where: short stacking energy: -330.061
Base-Backbone interact. energy: 3.400
local terms energy: -361.705967
where:
bonds (distance) C4'-P energy: -66.052
bonds (distance) P-C4' energy: -81.518
flat angles C4'-P-C4' energy: -89.691
flat angles P-C4'-P energy: -52.077
tors. eta vs tors. theta energy: -72.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -713.973673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.973673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.973673 (E_RNA)
where:
Base-Base interactions energy: -410.129
where: short stacking energy: -188.514
Base-Backbone interact. energy: -0.742
local terms energy: -303.102266
where:
bonds (distance) C4'-P energy: -84.119
bonds (distance) P-C4' energy: -85.399
flat angles C4'-P-C4' energy: -79.646
flat angles P-C4'-P energy: -38.317
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -576.397892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.397892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.397892 (E_RNA)
where:
Base-Base interactions energy: -279.895
where: short stacking energy: -183.226
Base-Backbone interact. energy: -0.008
local terms energy: -296.494665
where:
bonds (distance) C4'-P energy: -65.775
bonds (distance) P-C4' energy: -84.644
flat angles C4'-P-C4' energy: -81.250
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -24.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -542.513656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.513656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.513656 (E_RNA)
where:
Base-Base interactions energy: -311.973
where: short stacking energy: -164.967
Base-Backbone interact. energy: -1.260
local terms energy: -229.280222
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -75.607
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: 1.761
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: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1558.001979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.001979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.001979 (E_RNA)
where:
Base-Base interactions energy: -1074.704
where: short stacking energy: -451.160
Base-Backbone interact. energy: -3.357
local terms energy: -479.940838
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -91.140
flat angles C4'-P-C4' energy: -111.690
flat angles P-C4'-P energy: -54.253
tors. eta vs tors. theta energy: -129.968
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: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1528.650696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.650696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.650696 (E_RNA)
where:
Base-Base interactions energy: -1063.408
where: short stacking energy: -479.809
Base-Backbone interact. energy: -4.266
local terms energy: -460.976855
where:
bonds (distance) C4'-P energy: -79.816
bonds (distance) P-C4' energy: -93.937
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -135.789
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: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1436.932604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.932604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.932604 (E_RNA)
where:
Base-Base interactions energy: -1009.544
where: short stacking energy: -443.972
Base-Backbone interact. energy: 0.009
local terms energy: -427.398231
where:
bonds (distance) C4'-P energy: -77.973
bonds (distance) P-C4' energy: -79.038
flat angles C4'-P-C4' energy: -96.868
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -119.026
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: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1442.617081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.617081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.617081 (E_RNA)
where:
Base-Base interactions energy: -981.234
where: short stacking energy: -453.562
Base-Backbone interact. energy: -2.049
local terms energy: -459.334149
where:
bonds (distance) C4'-P energy: -76.544
bonds (distance) P-C4' energy: -89.534
flat angles C4'-P-C4' energy: -100.535
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -132.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1229.354421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.354421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.354421 (E_RNA)
where:
Base-Base interactions energy: -835.491
where: short stacking energy: -388.609
Base-Backbone interact. energy: -2.172
local terms energy: -391.692089
where:
bonds (distance) C4'-P energy: -83.258
bonds (distance) P-C4' energy: -71.575
flat angles C4'-P-C4' energy: -94.964
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -93.026
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: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1158.543633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.543633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.543633 (E_RNA)
where:
Base-Base interactions energy: -776.500
where: short stacking energy: -339.179
Base-Backbone interact. energy: 1.230
local terms energy: -383.273739
where:
bonds (distance) C4'-P energy: -77.481
bonds (distance) P-C4' energy: -86.580
flat angles C4'-P-C4' energy: -96.423
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -72.106
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: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1015.721166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.721166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.721166 (E_RNA)
where:
Base-Base interactions energy: -624.043
where: short stacking energy: -318.852
Base-Backbone interact. energy: -1.827
local terms energy: -389.851199
where:
bonds (distance) C4'-P energy: -83.591
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -89.984
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -81.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -855.718467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.718467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.718467 (E_RNA)
where:
Base-Base interactions energy: -528.756
where: short stacking energy: -240.426
Base-Backbone interact. energy: -2.534
local terms energy: -324.428753
where:
bonds (distance) C4'-P energy: -70.445
bonds (distance) P-C4' energy: -75.956
flat angles C4'-P-C4' energy: -80.310
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -43.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -567.831800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.831800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.831800 (E_RNA)
where:
Base-Base interactions energy: -294.800
where: short stacking energy: -174.442
Base-Backbone interact. energy: 3.665
local terms energy: -276.697645
where:
bonds (distance) C4'-P energy: -67.960
bonds (distance) P-C4' energy: -71.530
flat angles C4'-P-C4' energy: -85.708
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -10.814
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -522.342918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.342918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.342918 (E_RNA)
where:
Base-Base interactions energy: -262.127
where: short stacking energy: -142.600
Base-Backbone interact. energy: -3.541
local terms energy: -256.675220
where:
bonds (distance) C4'-P energy: -78.912
bonds (distance) P-C4' energy: -77.911
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: 11.159
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: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1572.253807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.253807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.253807 (E_RNA)
where:
Base-Base interactions energy: -1078.593
where: short stacking energy: -467.290
Base-Backbone interact. energy: -1.330
local terms energy: -492.331360
where:
bonds (distance) C4'-P energy: -78.415
bonds (distance) P-C4' energy: -107.218
flat angles C4'-P-C4' energy: -98.397
flat angles P-C4'-P energy: -78.838
tors. eta vs tors. theta energy: -129.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1516.071271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.071271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.071271 (E_RNA)
where:
Base-Base interactions energy: -1035.518
where: short stacking energy: -464.102
Base-Backbone interact. energy: -1.328
local terms energy: -479.224747
where:
bonds (distance) C4'-P energy: -95.832
bonds (distance) P-C4' energy: -87.678
flat angles C4'-P-C4' energy: -101.770
flat angles P-C4'-P energy: -61.655
tors. eta vs tors. theta energy: -132.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1440.205736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.205736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.205736 (E_RNA)
where:
Base-Base interactions energy: -980.816
where: short stacking energy: -427.784
Base-Backbone interact. energy: -3.346
local terms energy: -456.044084
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -93.130
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -118.966
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1451.685670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.685670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.685670 (E_RNA)
where:
Base-Base interactions energy: -989.442
where: short stacking energy: -438.325
Base-Backbone interact. energy: 1.898
local terms energy: -464.140942
where:
bonds (distance) C4'-P energy: -87.045
bonds (distance) P-C4' energy: -84.826
flat angles C4'-P-C4' energy: -105.653
flat angles P-C4'-P energy: -65.164
tors. eta vs tors. theta energy: -121.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1267.225580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.225580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.225580 (E_RNA)
where:
Base-Base interactions energy: -835.726
where: short stacking energy: -386.113
Base-Backbone interact. energy: -1.722
local terms energy: -429.777496
where:
bonds (distance) C4'-P energy: -89.274
bonds (distance) P-C4' energy: -84.153
flat angles C4'-P-C4' energy: -87.375
flat angles P-C4'-P energy: -58.247
tors. eta vs tors. theta energy: -110.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1172.634319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.634319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.634319 (E_RNA)
where:
Base-Base interactions energy: -799.059
where: short stacking energy: -347.008
Base-Backbone interact. energy: -1.843
local terms energy: -371.732584
where:
bonds (distance) C4'-P energy: -81.067
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -69.310
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -79.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -989.457298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.457298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.457298 (E_RNA)
where:
Base-Base interactions energy: -634.397
where: short stacking energy: -313.010
Base-Backbone interact. energy: -0.345
local terms energy: -354.715070
where:
bonds (distance) C4'-P energy: -78.995
bonds (distance) P-C4' energy: -77.242
flat angles C4'-P-C4' energy: -80.844
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -67.919
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: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -841.854626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.854626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.854626 (E_RNA)
where:
Base-Base interactions energy: -537.463
where: short stacking energy: -252.119
Base-Backbone interact. energy: -2.103
local terms energy: -302.288941
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -87.770
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -39.765
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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -611.604808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.604808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.604808 (E_RNA)
where:
Base-Base interactions energy: -311.518
where: short stacking energy: -185.640
Base-Backbone interact. energy: -0.020
local terms energy: -300.066451
where:
bonds (distance) C4'-P energy: -75.506
bonds (distance) P-C4' energy: -72.162
flat angles C4'-P-C4' energy: -81.374
flat angles P-C4'-P energy: -51.137
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -485.794157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.794157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.794157 (E_RNA)
where:
Base-Base interactions energy: -252.060
where: short stacking energy: -141.858
Base-Backbone interact. energy: 0.215
local terms energy: -233.949156
where:
bonds (distance) C4'-P energy: -72.759
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -44.742
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1568.559575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.559575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.559575 (E_RNA)
where:
Base-Base interactions energy: -1092.280
where: short stacking energy: -463.981
Base-Backbone interact. energy: -1.644
local terms energy: -474.636055
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -96.857
flat angles C4'-P-C4' energy: -93.753
flat angles P-C4'-P energy: -68.307
tors. eta vs tors. theta energy: -129.459
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: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1464.596707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.596707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.596707 (E_RNA)
where:
Base-Base interactions energy: -996.147
where: short stacking energy: -453.563
Base-Backbone interact. energy: -2.686
local terms energy: -465.764371
where:
bonds (distance) C4'-P energy: -88.491
bonds (distance) P-C4' energy: -91.414
flat angles C4'-P-C4' energy: -96.727
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -130.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1426.967118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.967118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.967118 (E_RNA)
where:
Base-Base interactions energy: -973.405
where: short stacking energy: -425.196
Base-Backbone interact. energy: -0.243
local terms energy: -453.319526
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -91.003
flat angles C4'-P-C4' energy: -92.952
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -112.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1391.944752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.944752 (E_RNA)
where:
Base-Base interactions energy: -932.054
where: short stacking energy: -430.199
Base-Backbone interact. energy: -1.242
local terms energy: -458.649178
where:
bonds (distance) C4'-P energy: -96.384
bonds (distance) P-C4' energy: -93.531
flat angles C4'-P-C4' energy: -88.723
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: -125.208
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: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1251.338859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.338859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.338859 (E_RNA)
where:
Base-Base interactions energy: -823.821
where: short stacking energy: -378.961
Base-Backbone interact. energy: -3.510
local terms energy: -424.008107
where:
bonds (distance) C4'-P energy: -78.410
bonds (distance) P-C4' energy: -91.878
flat angles C4'-P-C4' energy: -89.228
flat angles P-C4'-P energy: -57.948
tors. eta vs tors. theta energy: -106.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1133.912581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.912581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.912581 (E_RNA)
where:
Base-Base interactions energy: -746.372
where: short stacking energy: -329.062
Base-Backbone interact. energy: -2.143
local terms energy: -385.396705
where:
bonds (distance) C4'-P energy: -88.909
bonds (distance) P-C4' energy: -71.076
flat angles C4'-P-C4' energy: -89.770
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -81.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -993.281122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.281122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.281122 (E_RNA)
where:
Base-Base interactions energy: -627.051
where: short stacking energy: -305.612
Base-Backbone interact. energy: -2.087
local terms energy: -364.143617
where:
bonds (distance) C4'-P energy: -76.888
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -54.097
tors. eta vs tors. theta energy: -62.191
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: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -611.129011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.129011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.129011 (E_RNA)
where:
Base-Base interactions energy: -337.151
where: short stacking energy: -199.733
Base-Backbone interact. energy: -2.153
local terms energy: -271.824607
where:
bonds (distance) C4'-P energy: -69.034
bonds (distance) P-C4' energy: -75.725
flat angles C4'-P-C4' energy: -66.381
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -689.353134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.353134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.353134 (E_RNA)
where:
Base-Base interactions energy: -407.403
where: short stacking energy: -199.458
Base-Backbone interact. energy: 0.564
local terms energy: -282.513294
where:
bonds (distance) C4'-P energy: -85.084
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -16.275
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: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -460.935175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.935175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.935175 (E_RNA)
where:
Base-Base interactions energy: -205.025
where: short stacking energy: -130.420
Base-Backbone interact. energy: 0.491
local terms energy: -256.401064
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -65.574
flat angles P-C4'-P energy: -48.629
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1599.317416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.317416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.317416 (E_RNA)
where:
Base-Base interactions energy: -1105.429
where: short stacking energy: -479.114
Base-Backbone interact. energy: -2.088
local terms energy: -491.800213
where:
bonds (distance) C4'-P energy: -84.682
bonds (distance) P-C4' energy: -88.751
flat angles C4'-P-C4' energy: -105.907
flat angles P-C4'-P energy: -75.115
tors. eta vs tors. theta energy: -137.345
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1521.621561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.621561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.621561 (E_RNA)
where:
Base-Base interactions energy: -1044.903
where: short stacking energy: -455.949
Base-Backbone interact. energy: -0.470
local terms energy: -476.248888
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -106.621
flat angles C4'-P-C4' energy: -95.888
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -131.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1483.028955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.028955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.028955 (E_RNA)
where:
Base-Base interactions energy: -1017.651
where: short stacking energy: -438.444
Base-Backbone interact. energy: -2.673
local terms energy: -462.705111
where:
bonds (distance) C4'-P energy: -75.056
bonds (distance) P-C4' energy: -98.660
flat angles C4'-P-C4' energy: -106.652
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -120.278
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1440.383031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.383031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.383031 (E_RNA)
where:
Base-Base interactions energy: -979.482
where: short stacking energy: -411.898
Base-Backbone interact. energy: -2.610
local terms energy: -458.291041
where:
bonds (distance) C4'-P energy: -83.588
bonds (distance) P-C4' energy: -100.165
flat angles C4'-P-C4' energy: -92.731
flat angles P-C4'-P energy: -67.742
tors. eta vs tors. theta energy: -114.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1276.954799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.954799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.954799 (E_RNA)
where:
Base-Base interactions energy: -844.489
where: short stacking energy: -397.397
Base-Backbone interact. energy: -1.589
local terms energy: -430.877323
where:
bonds (distance) C4'-P energy: -85.758
bonds (distance) P-C4' energy: -76.561
flat angles C4'-P-C4' energy: -89.160
flat angles P-C4'-P energy: -64.187
tors. eta vs tors. theta energy: -115.212
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: 84
Temperature: 1.150000
Total energy: -1177.471717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.471717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.471717 (E_RNA)
where:
Base-Base interactions energy: -782.492
where: short stacking energy: -355.517
Base-Backbone interact. energy: 0.689
local terms energy: -395.667928
where:
bonds (distance) C4'-P energy: -74.944
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -87.100
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: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1017.205087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.205087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.205087 (E_RNA)
where:
Base-Base interactions energy: -649.082
where: short stacking energy: -294.557
Base-Backbone interact. energy: -4.664
local terms energy: -363.458668
where:
bonds (distance) C4'-P energy: -80.099
bonds (distance) P-C4' energy: -76.531
flat angles C4'-P-C4' energy: -89.212
flat angles P-C4'-P energy: -57.284
tors. eta vs tors. theta energy: -60.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -667.848809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.848809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.848809 (E_RNA)
where:
Base-Base interactions energy: -355.792
where: short stacking energy: -211.597
Base-Backbone interact. energy: -0.896
local terms energy: -311.160616
where:
bonds (distance) C4'-P energy: -80.906
bonds (distance) P-C4' energy: -77.753
flat angles C4'-P-C4' energy: -77.110
flat angles P-C4'-P energy: -54.031
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -635.432922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.432922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.432922 (E_RNA)
where:
Base-Base interactions energy: -369.696
where: short stacking energy: -199.187
Base-Backbone interact. energy: -0.875
local terms energy: -264.861873
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -74.507
flat angles C4'-P-C4' energy: -73.727
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -434.510770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.510770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.510770 (E_RNA)
where:
Base-Base interactions energy: -182.753
where: short stacking energy: -113.536
Base-Backbone interact. energy: -3.582
local terms energy: -248.175603
where:
bonds (distance) C4'-P energy: -61.763
bonds (distance) P-C4' energy: -91.136
flat angles C4'-P-C4' energy: -67.791
flat angles P-C4'-P energy: -49.122
tors. eta vs tors. theta energy: 21.637
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: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1586.512245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.512245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.512245 (E_RNA)
where:
Base-Base interactions energy: -1108.475
where: short stacking energy: -470.669
Base-Backbone interact. energy: 0.128
local terms energy: -478.164650
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -99.894
flat angles P-C4'-P energy: -67.028
tors. eta vs tors. theta energy: -132.995
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: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1502.299237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.299237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.299237 (E_RNA)
where:
Base-Base interactions energy: -1025.239
where: short stacking energy: -463.442
Base-Backbone interact. energy: -3.444
local terms energy: -473.615636
where:
bonds (distance) C4'-P energy: -92.849
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -105.698
flat angles P-C4'-P energy: -60.002
tors. eta vs tors. theta energy: -125.600
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: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1472.328631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.328631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.328631 (E_RNA)
where:
Base-Base interactions energy: -1004.877
where: short stacking energy: -439.460
Base-Backbone interact. energy: -1.937
local terms energy: -465.515297
where:
bonds (distance) C4'-P energy: -93.878
bonds (distance) P-C4' energy: -96.933
flat angles C4'-P-C4' energy: -92.050
flat angles P-C4'-P energy: -61.790
tors. eta vs tors. theta energy: -120.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1475.313436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.313436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.313436 (E_RNA)
where:
Base-Base interactions energy: -1015.372
where: short stacking energy: -436.992
Base-Backbone interact. energy: -2.336
local terms energy: -457.604549
where:
bonds (distance) C4'-P energy: -90.959
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -92.001
flat angles P-C4'-P energy: -60.759
tors. eta vs tors. theta energy: -121.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1320.917813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.917813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.917813 (E_RNA)
where:
Base-Base interactions energy: -890.804
where: short stacking energy: -409.303
Base-Backbone interact. energy: -0.928
local terms energy: -429.186606
where:
bonds (distance) C4'-P energy: -82.890
bonds (distance) P-C4' energy: -76.992
flat angles C4'-P-C4' energy: -93.418
flat angles P-C4'-P energy: -61.087
tors. eta vs tors. theta energy: -114.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1182.623125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.623125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.623125 (E_RNA)
where:
Base-Base interactions energy: -785.086
where: short stacking energy: -376.298
Base-Backbone interact. energy: 1.044
local terms energy: -398.580854
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -74.293
flat angles C4'-P-C4' energy: -95.374
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: -94.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1105.688827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.688827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.688827 (E_RNA)
where:
Base-Base interactions energy: -744.001
where: short stacking energy: -335.219
Base-Backbone interact. energy: -3.444
local terms energy: -358.243917
where:
bonds (distance) C4'-P energy: -77.806
bonds (distance) P-C4' energy: -78.365
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -46.674
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -667.212775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.212775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.212775 (E_RNA)
where:
Base-Base interactions energy: -377.070
where: short stacking energy: -206.979
Base-Backbone interact. energy: 5.608
local terms energy: -295.751143
where:
bonds (distance) C4'-P energy: -73.255
bonds (distance) P-C4' energy: -89.569
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -25.286
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: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -705.929617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.929617 (E_RNA)
where:
Base-Base interactions energy: -421.086
where: short stacking energy: -196.597
Base-Backbone interact. energy: -1.986
local terms energy: -282.857810
where:
bonds (distance) C4'-P energy: -70.175
bonds (distance) P-C4' energy: -59.603
flat angles C4'-P-C4' energy: -73.293
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -485.631890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.631890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.631890 (E_RNA)
where:
Base-Base interactions energy: -230.978
where: short stacking energy: -130.226
Base-Backbone interact. energy: 0.358
local terms energy: -255.011709
where:
bonds (distance) C4'-P energy: -62.491
bonds (distance) P-C4' energy: -69.289
flat angles C4'-P-C4' energy: -83.804
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1567.079558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.079558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.079558 (E_RNA)
where:
Base-Base interactions energy: -1094.374
where: short stacking energy: -466.369
Base-Backbone interact. energy: -3.356
local terms energy: -469.349824
where:
bonds (distance) C4'-P energy: -82.100
bonds (distance) P-C4' energy: -97.558
flat angles C4'-P-C4' energy: -99.655
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -124.558
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: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1525.833693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.833693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.833693 (E_RNA)
where:
Base-Base interactions energy: -1041.052
where: short stacking energy: -482.840
Base-Backbone interact. energy: -2.559
local terms energy: -482.222755
where:
bonds (distance) C4'-P energy: -97.100
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -102.413
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -131.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1513.140565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.140565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.140565 (E_RNA)
where:
Base-Base interactions energy: -1040.999
where: short stacking energy: -450.410
Base-Backbone interact. energy: -1.036
local terms energy: -471.105145
where:
bonds (distance) C4'-P energy: -84.534
bonds (distance) P-C4' energy: -89.074
flat angles C4'-P-C4' energy: -102.119
flat angles P-C4'-P energy: -64.891
tors. eta vs tors. theta energy: -130.486
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: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1425.166073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.166073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.166073 (E_RNA)
where:
Base-Base interactions energy: -990.294
where: short stacking energy: -427.511
Base-Backbone interact. energy: 2.242
local terms energy: -437.114221
where:
bonds (distance) C4'-P energy: -85.587
bonds (distance) P-C4' energy: -89.885
flat angles C4'-P-C4' energy: -94.325
flat angles P-C4'-P energy: -54.731
tors. eta vs tors. theta energy: -112.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1285.366740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.366740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.366740 (E_RNA)
where:
Base-Base interactions energy: -826.087
where: short stacking energy: -393.958
Base-Backbone interact. energy: -2.502
local terms energy: -456.777560
where:
bonds (distance) C4'-P energy: -94.838
bonds (distance) P-C4' energy: -81.771
flat angles C4'-P-C4' energy: -95.121
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -119.067
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: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1140.613871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.613871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.613871 (E_RNA)
where:
Base-Base interactions energy: -775.416
where: short stacking energy: -339.944
Base-Backbone interact. energy: -0.278
local terms energy: -364.918948
where:
bonds (distance) C4'-P energy: -63.865
bonds (distance) P-C4' energy: -78.738
flat angles C4'-P-C4' energy: -81.077
flat angles P-C4'-P energy: -59.571
tors. eta vs tors. theta energy: -81.668
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: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1111.134249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.134249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.134249 (E_RNA)
where:
Base-Base interactions energy: -757.748
where: short stacking energy: -359.762
Base-Backbone interact. energy: -3.032
local terms energy: -350.354851
where:
bonds (distance) C4'-P energy: -75.601
bonds (distance) P-C4' energy: -79.595
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -76.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -675.125685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.125685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.125685 (E_RNA)
where:
Base-Base interactions energy: -379.576
where: short stacking energy: -204.039
Base-Backbone interact. energy: -1.382
local terms energy: -294.167769
where:
bonds (distance) C4'-P energy: -58.820
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -65.680
flat angles P-C4'-P energy: -58.843
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -751.742363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.742363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.742363 (E_RNA)
where:
Base-Base interactions energy: -425.540
where: short stacking energy: -211.671
Base-Backbone interact. energy: -2.457
local terms energy: -323.745623
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -84.901
flat angles C4'-P-C4' energy: -73.099
flat angles P-C4'-P energy: -55.454
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -538.856987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.856987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.856987 (E_RNA)
where:
Base-Base interactions energy: -286.511
where: short stacking energy: -160.455
Base-Backbone interact. energy: -0.526
local terms energy: -251.820204
where:
bonds (distance) C4'-P energy: -55.445
bonds (distance) P-C4' energy: -65.830
flat angles C4'-P-C4' energy: -70.183
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1566.060254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.060254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.060254 (E_RNA)
where:
Base-Base interactions energy: -1097.978
where: short stacking energy: -474.938
Base-Backbone interact. energy: -2.703
local terms energy: -465.378405
where:
bonds (distance) C4'-P energy: -78.839
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -95.657
flat angles P-C4'-P energy: -66.730
tors. eta vs tors. theta energy: -130.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1545.367964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.367964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.367964 (E_RNA)
where:
Base-Base interactions energy: -1087.552
where: short stacking energy: -475.705
Base-Backbone interact. energy: -3.062
local terms energy: -454.753993
where:
bonds (distance) C4'-P energy: -68.372
bonds (distance) P-C4' energy: -93.384
flat angles C4'-P-C4' energy: -109.122
flat angles P-C4'-P energy: -59.664
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: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1485.386851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.386851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.386851 (E_RNA)
where:
Base-Base interactions energy: -1038.573
where: short stacking energy: -453.005
Base-Backbone interact. energy: -1.100
local terms energy: -445.713178
where:
bonds (distance) C4'-P energy: -78.011
bonds (distance) P-C4' energy: -92.055
flat angles C4'-P-C4' energy: -91.828
flat angles P-C4'-P energy: -66.138
tors. eta vs tors. theta energy: -117.681
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: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1439.821702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.821702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.821702 (E_RNA)
where:
Base-Base interactions energy: -987.336
where: short stacking energy: -446.962
Base-Backbone interact. energy: -1.544
local terms energy: -450.942193
where:
bonds (distance) C4'-P energy: -76.558
bonds (distance) P-C4' energy: -97.401
flat angles C4'-P-C4' energy: -89.938
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -127.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1258.417090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.417090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.417090 (E_RNA)
where:
Base-Base interactions energy: -801.629
where: short stacking energy: -389.802
Base-Backbone interact. energy: -1.973
local terms energy: -454.814417
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -88.133
flat angles C4'-P-C4' energy: -101.613
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -114.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1179.575351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.575351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.575351 (E_RNA)
where:
Base-Base interactions energy: -783.153
where: short stacking energy: -357.369
Base-Backbone interact. energy: 1.252
local terms energy: -397.674245
where:
bonds (distance) C4'-P energy: -84.966
bonds (distance) P-C4' energy: -75.794
flat angles C4'-P-C4' energy: -87.963
flat angles P-C4'-P energy: -59.943
tors. eta vs tors. theta energy: -89.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1080.557795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.557795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.557795 (E_RNA)
where:
Base-Base interactions energy: -726.819
where: short stacking energy: -301.854
Base-Backbone interact. energy: -1.304
local terms energy: -352.435441
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -85.347
flat angles C4'-P-C4' energy: -83.193
flat angles P-C4'-P energy: -54.944
tors. eta vs tors. theta energy: -63.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -839.102326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.102326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.102326 (E_RNA)
where:
Base-Base interactions energy: -522.084
where: short stacking energy: -229.503
Base-Backbone interact. energy: -0.886
local terms energy: -316.132203
where:
bonds (distance) C4'-P energy: -76.150
bonds (distance) P-C4' energy: -79.011
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -33.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -681.859181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.859181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.859181 (E_RNA)
where:
Base-Base interactions energy: -388.712
where: short stacking energy: -225.919
Base-Backbone interact. energy: -0.366
local terms energy: -292.780990
where:
bonds (distance) C4'-P energy: -60.754
bonds (distance) P-C4' energy: -80.292
flat angles C4'-P-C4' energy: -77.121
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -564.453143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.453143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.453143 (E_RNA)
where:
Base-Base interactions energy: -291.537
where: short stacking energy: -178.023
Base-Backbone interact. energy: 1.510
local terms energy: -274.426448
where:
bonds (distance) C4'-P energy: -87.482
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -61.428
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1587.260637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.260637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.260637 (E_RNA)
where:
Base-Base interactions energy: -1099.124
where: short stacking energy: -453.253
Base-Backbone interact. energy: 1.126
local terms energy: -489.262788
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -92.797
flat angles C4'-P-C4' energy: -99.054
flat angles P-C4'-P energy: -74.513
tors. eta vs tors. theta energy: -133.205
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: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1560.132890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.132890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.132890 (E_RNA)
where:
Base-Base interactions energy: -1062.024
where: short stacking energy: -478.960
Base-Backbone interact. energy: -3.483
local terms energy: -494.626636
where:
bonds (distance) C4'-P energy: -94.925
bonds (distance) P-C4' energy: -98.297
flat angles C4'-P-C4' energy: -97.171
flat angles P-C4'-P energy: -64.954
tors. eta vs tors. theta energy: -139.281
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: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1503.205846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.205846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.205846 (E_RNA)
where:
Base-Base interactions energy: -1023.811
where: short stacking energy: -453.972
Base-Backbone interact. energy: -1.918
local terms energy: -477.476033
where:
bonds (distance) C4'-P energy: -87.175
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -102.902
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -125.626
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: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1421.146694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.146694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.146694 (E_RNA)
where:
Base-Base interactions energy: -974.807
where: short stacking energy: -425.061
Base-Backbone interact. energy: -1.533
local terms energy: -444.806206
where:
bonds (distance) C4'-P energy: -82.528
bonds (distance) P-C4' energy: -82.955
flat angles C4'-P-C4' energy: -98.937
flat angles P-C4'-P energy: -64.873
tors. eta vs tors. theta energy: -115.513
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: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1237.471468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.471468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.471468 (E_RNA)
where:
Base-Base interactions energy: -828.958
where: short stacking energy: -371.612
Base-Backbone interact. energy: 0.154
local terms energy: -408.667121
where:
bonds (distance) C4'-P energy: -80.417
bonds (distance) P-C4' energy: -76.708
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -58.129
tors. eta vs tors. theta energy: -92.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1164.820526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.820526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.820526 (E_RNA)
where:
Base-Base interactions energy: -755.288
where: short stacking energy: -344.249
Base-Backbone interact. energy: 0.377
local terms energy: -409.909938
where:
bonds (distance) C4'-P energy: -91.516
bonds (distance) P-C4' energy: -85.612
flat angles C4'-P-C4' energy: -86.648
flat angles P-C4'-P energy: -50.834
tors. eta vs tors. theta energy: -95.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1045.776331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.776331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.776331 (E_RNA)
where:
Base-Base interactions energy: -652.686
where: short stacking energy: -303.805
Base-Backbone interact. energy: -4.370
local terms energy: -388.720678
where:
bonds (distance) C4'-P energy: -82.553
bonds (distance) P-C4' energy: -88.604
flat angles C4'-P-C4' energy: -78.460
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: -81.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -883.669746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.669746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.669746 (E_RNA)
where:
Base-Base interactions energy: -554.532
where: short stacking energy: -254.023
Base-Backbone interact. energy: -2.074
local terms energy: -327.063940
where:
bonds (distance) C4'-P energy: -82.118
bonds (distance) P-C4' energy: -78.692
flat angles C4'-P-C4' energy: -75.019
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: -45.150
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: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -640.349213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.349213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.349213 (E_RNA)
where:
Base-Base interactions energy: -359.565
where: short stacking energy: -197.069
Base-Backbone interact. energy: 0.904
local terms energy: -281.688226
where:
bonds (distance) C4'-P energy: -75.653
bonds (distance) P-C4' energy: -69.774
flat angles C4'-P-C4' energy: -69.362
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -539.636552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.636552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.636552 (E_RNA)
where:
Base-Base interactions energy: -266.938
where: short stacking energy: -175.849
Base-Backbone interact. energy: -0.931
local terms energy: -271.767381
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -84.214
flat angles C4'-P-C4' energy: -71.798
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1613.354903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.354903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.354903 (E_RNA)
where:
Base-Base interactions energy: -1118.183
where: short stacking energy: -484.034
Base-Backbone interact. energy: -5.541
local terms energy: -489.631325
where:
bonds (distance) C4'-P energy: -93.201
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -96.950
flat angles P-C4'-P energy: -66.934
tors. eta vs tors. theta energy: -138.715
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1570.976162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.976162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.976162 (E_RNA)
where:
Base-Base interactions energy: -1084.160
where: short stacking energy: -483.481
Base-Backbone interact. energy: -1.652
local terms energy: -485.163956
where:
bonds (distance) C4'-P energy: -75.609
bonds (distance) P-C4' energy: -98.894
flat angles C4'-P-C4' energy: -101.236
flat angles P-C4'-P energy: -63.762
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: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1463.093183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.093183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.093183 (E_RNA)
where:
Base-Base interactions energy: -1018.970
where: short stacking energy: -466.145
Base-Backbone interact. energy: -2.868
local terms energy: -441.254576
where:
bonds (distance) C4'-P energy: -70.519
bonds (distance) P-C4' energy: -88.299
flat angles C4'-P-C4' energy: -102.023
flat angles P-C4'-P energy: -63.599
tors. eta vs tors. theta energy: -116.814
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: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1437.736973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.736973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.736973 (E_RNA)
where:
Base-Base interactions energy: -987.927
where: short stacking energy: -437.567
Base-Backbone interact. energy: -0.858
local terms energy: -448.952110
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -98.659
flat angles P-C4'-P energy: -61.953
tors. eta vs tors. theta energy: -117.056
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: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1245.274077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.274077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.274077 (E_RNA)
where:
Base-Base interactions energy: -835.148
where: short stacking energy: -377.071
Base-Backbone interact. energy: -1.248
local terms energy: -408.877933
where:
bonds (distance) C4'-P energy: -75.032
bonds (distance) P-C4' energy: -90.593
flat angles C4'-P-C4' energy: -97.024
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -106.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1106.176067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.176067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.176067 (E_RNA)
where:
Base-Base interactions energy: -736.212
where: short stacking energy: -330.864
Base-Backbone interact. energy: 0.478
local terms energy: -370.442459
where:
bonds (distance) C4'-P energy: -82.717
bonds (distance) P-C4' energy: -80.593
flat angles C4'-P-C4' energy: -89.264
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -70.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1132.816863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.816863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.816863 (E_RNA)
where:
Base-Base interactions energy: -740.880
where: short stacking energy: -348.087
Base-Backbone interact. energy: 0.922
local terms energy: -392.859064
where:
bonds (distance) C4'-P energy: -78.468
bonds (distance) P-C4' energy: -81.198
flat angles C4'-P-C4' energy: -97.054
flat angles P-C4'-P energy: -54.864
tors. eta vs tors. theta energy: -81.275
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: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -840.805603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.805603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.805603 (E_RNA)
where:
Base-Base interactions energy: -554.063
where: short stacking energy: -234.369
Base-Backbone interact. energy: -4.029
local terms energy: -282.713279
where:
bonds (distance) C4'-P energy: -69.457
bonds (distance) P-C4' energy: -84.790
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -35.476
tors. eta vs tors. theta energy: -33.632
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -655.999017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.999017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.999017 (E_RNA)
where:
Base-Base interactions energy: -363.066
where: short stacking energy: -202.347
Base-Backbone interact. energy: 0.065
local terms energy: -292.998315
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -75.322
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -24.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -518.287078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.287078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.287078 (E_RNA)
where:
Base-Base interactions energy: -253.673
where: short stacking energy: -162.713
Base-Backbone interact. energy: 4.030
local terms energy: -268.644287
where:
bonds (distance) C4'-P energy: -81.021
bonds (distance) P-C4' energy: -67.052
flat angles C4'-P-C4' energy: -71.676
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -3.724
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1584.006783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.006783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.006783 (E_RNA)
where:
Base-Base interactions energy: -1113.950
where: short stacking energy: -474.760
Base-Backbone interact. energy: -3.276
local terms energy: -466.779988
where:
bonds (distance) C4'-P energy: -78.112
bonds (distance) P-C4' energy: -97.401
flat angles C4'-P-C4' energy: -93.873
flat angles P-C4'-P energy: -64.221
tors. eta vs tors. theta energy: -133.173
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: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1560.186343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.186343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.186343 (E_RNA)
where:
Base-Base interactions energy: -1089.146
where: short stacking energy: -482.874
Base-Backbone interact. energy: -1.317
local terms energy: -469.723004
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -65.525
tors. eta vs tors. theta energy: -140.623
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: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1453.113552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.113552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.113552 (E_RNA)
where:
Base-Base interactions energy: -1015.992
where: short stacking energy: -453.265
Base-Backbone interact. energy: -2.330
local terms energy: -434.790935
where:
bonds (distance) C4'-P energy: -92.506
bonds (distance) P-C4' energy: -75.221
flat angles C4'-P-C4' energy: -96.855
flat angles P-C4'-P energy: -63.416
tors. eta vs tors. theta energy: -106.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1418.914174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.914174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.914174 (E_RNA)
where:
Base-Base interactions energy: -974.628
where: short stacking energy: -437.304
Base-Backbone interact. energy: -0.365
local terms energy: -443.920572
where:
bonds (distance) C4'-P energy: -86.659
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -99.313
flat angles P-C4'-P energy: -59.307
tors. eta vs tors. theta energy: -119.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1290.271901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.271901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.271901 (E_RNA)
where:
Base-Base interactions energy: -877.279
where: short stacking energy: -400.363
Base-Backbone interact. energy: -1.293
local terms energy: -411.699568
where:
bonds (distance) C4'-P energy: -77.426
bonds (distance) P-C4' energy: -89.441
flat angles C4'-P-C4' energy: -80.257
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -111.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1117.790029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.790029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.790029 (E_RNA)
where:
Base-Base interactions energy: -746.659
where: short stacking energy: -333.315
Base-Backbone interact. energy: -2.194
local terms energy: -368.936867
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -83.624
flat angles P-C4'-P energy: -59.957
tors. eta vs tors. theta energy: -90.742
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1127.108870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.108870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.108870 (E_RNA)
where:
Base-Base interactions energy: -745.739
where: short stacking energy: -341.367
Base-Backbone interact. energy: 0.033
local terms energy: -381.402963
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -89.005
flat angles C4'-P-C4' energy: -87.275
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -74.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -829.966998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.966998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.966998 (E_RNA)
where:
Base-Base interactions energy: -501.910
where: short stacking energy: -219.403
Base-Backbone interact. energy: -3.172
local terms energy: -324.885760
where:
bonds (distance) C4'-P energy: -83.281
bonds (distance) P-C4' energy: -82.282
flat angles C4'-P-C4' energy: -82.627
flat angles P-C4'-P energy: -44.854
tors. eta vs tors. theta energy: -31.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -619.582804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.582804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.582804 (E_RNA)
where:
Base-Base interactions energy: -329.315
where: short stacking energy: -172.809
Base-Backbone interact. energy: -0.427
local terms energy: -289.840458
where:
bonds (distance) C4'-P energy: -83.086
bonds (distance) P-C4' energy: -76.349
flat angles C4'-P-C4' energy: -72.202
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -14.182
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: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -476.878320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.878320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.878320 (E_RNA)
where:
Base-Base interactions energy: -223.952
where: short stacking energy: -137.688
Base-Backbone interact. energy: -2.722
local terms energy: -250.204773
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1596.566809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.566809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.566809 (E_RNA)
where:
Base-Base interactions energy: -1131.237
where: short stacking energy: -469.079
Base-Backbone interact. energy: -2.127
local terms energy: -463.202962
where:
bonds (distance) C4'-P energy: -82.048
bonds (distance) P-C4' energy: -87.734
flat angles C4'-P-C4' energy: -107.972
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -119.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1580.741125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.741125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.741125 (E_RNA)
where:
Base-Base interactions energy: -1095.830
where: short stacking energy: -499.001
Base-Backbone interact. energy: -1.323
local terms energy: -483.588062
where:
bonds (distance) C4'-P energy: -79.590
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -99.555
flat angles P-C4'-P energy: -72.650
tors. eta vs tors. theta energy: -145.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1486.287212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.287212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.287212 (E_RNA)
where:
Base-Base interactions energy: -1023.786
where: short stacking energy: -458.293
Base-Backbone interact. energy: -2.166
local terms energy: -460.336084
where:
bonds (distance) C4'-P energy: -81.513
bonds (distance) P-C4' energy: -92.043
flat angles C4'-P-C4' energy: -101.948
flat angles P-C4'-P energy: -61.680
tors. eta vs tors. theta energy: -123.153
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: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1392.149747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.149747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.149747 (E_RNA)
where:
Base-Base interactions energy: -956.412
where: short stacking energy: -435.050
Base-Backbone interact. energy: -2.917
local terms energy: -432.821187
where:
bonds (distance) C4'-P energy: -76.834
bonds (distance) P-C4' energy: -76.776
flat angles C4'-P-C4' energy: -104.757
flat angles P-C4'-P energy: -66.620
tors. eta vs tors. theta energy: -107.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1257.359469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.359469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.359469 (E_RNA)
where:
Base-Base interactions energy: -831.059
where: short stacking energy: -367.380
Base-Backbone interact. energy: -2.798
local terms energy: -423.502602
where:
bonds (distance) C4'-P energy: -85.353
bonds (distance) P-C4' energy: -84.987
flat angles C4'-P-C4' energy: -100.681
flat angles P-C4'-P energy: -54.465
tors. eta vs tors. theta energy: -98.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1139.857797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.857797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.857797 (E_RNA)
where:
Base-Base interactions energy: -751.938
where: short stacking energy: -330.560
Base-Backbone interact. energy: -4.215
local terms energy: -383.705716
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -80.759
flat angles P-C4'-P energy: -54.987
tors. eta vs tors. theta energy: -80.380
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: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1114.133236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.133236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.133236 (E_RNA)
where:
Base-Base interactions energy: -708.964
where: short stacking energy: -328.965
Base-Backbone interact. energy: -1.826
local terms energy: -403.343401
where:
bonds (distance) C4'-P energy: -90.393
bonds (distance) P-C4' energy: -89.959
flat angles C4'-P-C4' energy: -83.070
flat angles P-C4'-P energy: -67.371
tors. eta vs tors. theta energy: -72.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -838.361685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.361685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.361685 (E_RNA)
where:
Base-Base interactions energy: -511.484
where: short stacking energy: -250.748
Base-Backbone interact. energy: -0.153
local terms energy: -326.724177
where:
bonds (distance) C4'-P energy: -72.155
bonds (distance) P-C4' energy: -83.225
flat angles C4'-P-C4' energy: -86.307
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -602.686807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.686807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.686807 (E_RNA)
where:
Base-Base interactions energy: -332.000
where: short stacking energy: -173.961
Base-Backbone interact. energy: -1.483
local terms energy: -269.203722
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -59.027
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -521.977012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.977012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.977012 (E_RNA)
where:
Base-Base interactions energy: -262.978
where: short stacking energy: -143.541
Base-Backbone interact. energy: 1.234
local terms energy: -260.233099
where:
bonds (distance) C4'-P energy: -70.394
bonds (distance) P-C4' energy: -72.304
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1614.926307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.926307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.926307 (E_RNA)
where:
Base-Base interactions energy: -1121.100
where: short stacking energy: -496.551
Base-Backbone interact. energy: -1.572
local terms energy: -492.253814
where:
bonds (distance) C4'-P energy: -91.541
bonds (distance) P-C4' energy: -87.014
flat angles C4'-P-C4' energy: -103.899
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -152.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1577.041860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.041860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.041860 (E_RNA)
where:
Base-Base interactions energy: -1103.451
where: short stacking energy: -444.366
Base-Backbone interact. energy: -2.520
local terms energy: -471.070288
where:
bonds (distance) C4'-P energy: -92.636
bonds (distance) P-C4' energy: -93.289
flat angles C4'-P-C4' energy: -105.637
flat angles P-C4'-P energy: -61.688
tors. eta vs tors. theta energy: -117.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1475.056364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.056364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.056364 (E_RNA)
where:
Base-Base interactions energy: -1019.928
where: short stacking energy: -469.150
Base-Backbone interact. energy: -3.099
local terms energy: -452.029281
where:
bonds (distance) C4'-P energy: -75.528
bonds (distance) P-C4' energy: -84.217
flat angles C4'-P-C4' energy: -101.006
flat angles P-C4'-P energy: -64.944
tors. eta vs tors. theta energy: -126.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1403.326967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.326967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.326967 (E_RNA)
where:
Base-Base interactions energy: -966.278
where: short stacking energy: -431.865
Base-Backbone interact. energy: -1.586
local terms energy: -435.462790
where:
bonds (distance) C4'-P energy: -82.014
bonds (distance) P-C4' energy: -76.578
flat angles C4'-P-C4' energy: -102.473
flat angles P-C4'-P energy: -61.303
tors. eta vs tors. theta energy: -113.095
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: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1240.450644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.450644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.450644 (E_RNA)
where:
Base-Base interactions energy: -824.450
where: short stacking energy: -364.450
Base-Backbone interact. energy: -2.355
local terms energy: -413.645827
where:
bonds (distance) C4'-P energy: -74.965
bonds (distance) P-C4' energy: -85.519
flat angles C4'-P-C4' energy: -106.251
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -88.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1161.695100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.695100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.695100 (E_RNA)
where:
Base-Base interactions energy: -761.039
where: short stacking energy: -337.506
Base-Backbone interact. energy: -1.742
local terms energy: -398.914268
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -91.326
flat angles P-C4'-P energy: -59.094
tors. eta vs tors. theta energy: -77.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1121.230222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.230222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.230222 (E_RNA)
where:
Base-Base interactions energy: -759.034
where: short stacking energy: -344.545
Base-Backbone interact. energy: -3.114
local terms energy: -359.081871
where:
bonds (distance) C4'-P energy: -69.215
bonds (distance) P-C4' energy: -71.602
flat angles C4'-P-C4' energy: -89.583
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -78.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -833.757197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.757197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.757197 (E_RNA)
where:
Base-Base interactions energy: -526.332
where: short stacking energy: -249.693
Base-Backbone interact. energy: -1.704
local terms energy: -305.721811
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -87.373
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -33.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -567.225846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.225846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.225846 (E_RNA)
where:
Base-Base interactions energy: -295.698
where: short stacking energy: -162.162
Base-Backbone interact. energy: -1.096
local terms energy: -270.431999
where:
bonds (distance) C4'-P energy: -81.283
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -518.307386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.307386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.307386 (E_RNA)
where:
Base-Base interactions energy: -263.755
where: short stacking energy: -137.277
Base-Backbone interact. energy: -2.956
local terms energy: -251.596896
where:
bonds (distance) C4'-P energy: -79.004
bonds (distance) P-C4' energy: -76.556
flat angles C4'-P-C4' energy: -52.844
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -4.537
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: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1616.340501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.340501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.340501 (E_RNA)
where:
Base-Base interactions energy: -1143.802
where: short stacking energy: -494.531
Base-Backbone interact. energy: -0.635
local terms energy: -471.902770
where:
bonds (distance) C4'-P energy: -77.880
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -101.102
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -139.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1591.585327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.585327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.585327 (E_RNA)
where:
Base-Base interactions energy: -1109.303
where: short stacking energy: -474.386
Base-Backbone interact. energy: -2.838
local terms energy: -479.443866
where:
bonds (distance) C4'-P energy: -90.245
bonds (distance) P-C4' energy: -85.522
flat angles C4'-P-C4' energy: -101.003
flat angles P-C4'-P energy: -79.831
tors. eta vs tors. theta energy: -122.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1485.152519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.152519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.152519 (E_RNA)
where:
Base-Base interactions energy: -1017.924
where: short stacking energy: -436.804
Base-Backbone interact. energy: -2.745
local terms energy: -464.483627
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -93.358
flat angles C4'-P-C4' energy: -97.109
flat angles P-C4'-P energy: -63.723
tors. eta vs tors. theta energy: -133.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1373.393687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.393687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.393687 (E_RNA)
where:
Base-Base interactions energy: -946.967
where: short stacking energy: -415.735
Base-Backbone interact. energy: -1.441
local terms energy: -424.985599
where:
bonds (distance) C4'-P energy: -84.118
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -106.079
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: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1283.517080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.517080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.517080 (E_RNA)
where:
Base-Base interactions energy: -871.743
where: short stacking energy: -388.681
Base-Backbone interact. energy: -1.293
local terms energy: -410.480703
where:
bonds (distance) C4'-P energy: -67.982
bonds (distance) P-C4' energy: -73.619
flat angles C4'-P-C4' energy: -93.951
flat angles P-C4'-P energy: -70.181
tors. eta vs tors. theta energy: -104.748
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: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1145.919146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.919146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.919146 (E_RNA)
where:
Base-Base interactions energy: -757.810
where: short stacking energy: -331.943
Base-Backbone interact. energy: -1.039
local terms energy: -387.070760
where:
bonds (distance) C4'-P energy: -78.130
bonds (distance) P-C4' energy: -76.358
flat angles C4'-P-C4' energy: -90.525
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -92.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1086.939965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.939965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.939965 (E_RNA)
where:
Base-Base interactions energy: -724.602
where: short stacking energy: -339.256
Base-Backbone interact. energy: -1.759
local terms energy: -360.578653
where:
bonds (distance) C4'-P energy: -67.474
bonds (distance) P-C4' energy: -73.489
flat angles C4'-P-C4' energy: -78.099
flat angles P-C4'-P energy: -54.672
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: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -864.656072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.656072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.656072 (E_RNA)
where:
Base-Base interactions energy: -533.797
where: short stacking energy: -248.633
Base-Backbone interact. energy: -0.255
local terms energy: -330.604253
where:
bonds (distance) C4'-P energy: -95.873
bonds (distance) P-C4' energy: -68.076
flat angles C4'-P-C4' energy: -74.204
flat angles P-C4'-P energy: -47.244
tors. eta vs tors. theta energy: -45.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -622.295872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.295872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.295872 (E_RNA)
where:
Base-Base interactions energy: -336.652
where: short stacking energy: -198.944
Base-Backbone interact. energy: -0.669
local terms energy: -284.975026
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -74.104
flat angles C4'-P-C4' energy: -78.701
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -33.999
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -526.953258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.953258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.953258 (E_RNA)
where:
Base-Base interactions energy: -252.808
where: short stacking energy: -161.383
Base-Backbone interact. energy: -1.095
local terms energy: -273.050342
where:
bonds (distance) C4'-P energy: -74.440
bonds (distance) P-C4' energy: -83.787
flat angles C4'-P-C4' energy: -70.117
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1614.980355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.980355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.980355 (E_RNA)
where:
Base-Base interactions energy: -1132.536
where: short stacking energy: -480.025
Base-Backbone interact. energy: -1.504
local terms energy: -480.940850
where:
bonds (distance) C4'-P energy: -92.284
bonds (distance) P-C4' energy: -98.066
flat angles C4'-P-C4' energy: -100.664
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -129.300
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: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1574.991584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.991584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.991584 (E_RNA)
where:
Base-Base interactions energy: -1091.494
where: short stacking energy: -484.912
Base-Backbone interact. energy: -0.014
local terms energy: -483.484005
where:
bonds (distance) C4'-P energy: -85.060
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -103.242
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -142.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1501.525537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.525537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.525537 (E_RNA)
where:
Base-Base interactions energy: -1026.300
where: short stacking energy: -479.528
Base-Backbone interact. energy: -1.071
local terms energy: -474.154439
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -92.178
flat angles C4'-P-C4' energy: -104.144
flat angles P-C4'-P energy: -65.775
tors. eta vs tors. theta energy: -129.538
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: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1389.147429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.147429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.147429 (E_RNA)
where:
Base-Base interactions energy: -941.025
where: short stacking energy: -428.401
Base-Backbone interact. energy: -2.256
local terms energy: -445.866692
where:
bonds (distance) C4'-P energy: -88.725
bonds (distance) P-C4' energy: -84.261
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -65.437
tors. eta vs tors. theta energy: -109.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1224.194611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.194611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.194611 (E_RNA)
where:
Base-Base interactions energy: -816.744
where: short stacking energy: -369.315
Base-Backbone interact. energy: -1.147
local terms energy: -406.303578
where:
bonds (distance) C4'-P energy: -60.505
bonds (distance) P-C4' energy: -92.555
flat angles C4'-P-C4' energy: -90.086
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -107.883
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: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1139.989528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.989528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.989528 (E_RNA)
where:
Base-Base interactions energy: -766.776
where: short stacking energy: -349.511
Base-Backbone interact. energy: -0.893
local terms energy: -372.321171
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -78.934
flat angles C4'-P-C4' energy: -78.565
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -95.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1064.032407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.032407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.032407 (E_RNA)
where:
Base-Base interactions energy: -696.336
where: short stacking energy: -308.910
Base-Backbone interact. energy: -1.441
local terms energy: -366.254859
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -76.127
flat angles C4'-P-C4' energy: -86.973
flat angles P-C4'-P energy: -59.896
tors. eta vs tors. theta energy: -64.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -870.494367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.494367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.494367 (E_RNA)
where:
Base-Base interactions energy: -558.713
where: short stacking energy: -246.983
Base-Backbone interact. energy: -3.224
local terms energy: -308.558101
where:
bonds (distance) C4'-P energy: -66.708
bonds (distance) P-C4' energy: -82.017
flat angles C4'-P-C4' energy: -79.025
flat angles P-C4'-P energy: -46.401
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -620.002632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.002632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.002632 (E_RNA)
where:
Base-Base interactions energy: -330.487
where: short stacking energy: -181.223
Base-Backbone interact. energy: -1.717
local terms energy: -287.798100
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -74.055
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -538.298295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.298295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.298295 (E_RNA)
where:
Base-Base interactions energy: -260.298
where: short stacking energy: -162.833
Base-Backbone interact. energy: -3.946
local terms energy: -274.054744
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -79.077
flat angles C4'-P-C4' energy: -62.394
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1619.323084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.323084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.323084 (E_RNA)
where:
Base-Base interactions energy: -1148.667
where: short stacking energy: -473.924
Base-Backbone interact. energy: 1.367
local terms energy: -472.023429
where:
bonds (distance) C4'-P energy: -88.678
bonds (distance) P-C4' energy: -86.768
flat angles C4'-P-C4' energy: -103.034
flat angles P-C4'-P energy: -63.829
tors. eta vs tors. theta energy: -129.715
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: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1585.008377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.008377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.008377 (E_RNA)
where:
Base-Base interactions energy: -1094.875
where: short stacking energy: -503.943
Base-Backbone interact. energy: 4.413
local terms energy: -494.546167
where:
bonds (distance) C4'-P energy: -74.980
bonds (distance) P-C4' energy: -97.143
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -142.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1495.863844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.863844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.863844 (E_RNA)
where:
Base-Base interactions energy: -1058.668
where: short stacking energy: -459.650
Base-Backbone interact. energy: 3.129
local terms energy: -440.325349
where:
bonds (distance) C4'-P energy: -80.029
bonds (distance) P-C4' energy: -77.180
flat angles C4'-P-C4' energy: -100.471
flat angles P-C4'-P energy: -58.834
tors. eta vs tors. theta energy: -123.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1403.074681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.074681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.074681 (E_RNA)
where:
Base-Base interactions energy: -958.487
where: short stacking energy: -424.962
Base-Backbone interact. energy: 0.447
local terms energy: -445.035168
where:
bonds (distance) C4'-P energy: -84.587
bonds (distance) P-C4' energy: -87.860
flat angles C4'-P-C4' energy: -94.504
flat angles P-C4'-P energy: -61.155
tors. eta vs tors. theta energy: -116.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1234.339736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.339736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.339736 (E_RNA)
where:
Base-Base interactions energy: -828.965
where: short stacking energy: -399.136
Base-Backbone interact. energy: 5.420
local terms energy: -410.794540
where:
bonds (distance) C4'-P energy: -78.835
bonds (distance) P-C4' energy: -79.293
flat angles C4'-P-C4' energy: -92.331
flat angles P-C4'-P energy: -58.489
tors. eta vs tors. theta energy: -101.847
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1174.842047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.842047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.842047 (E_RNA)
where:
Base-Base interactions energy: -807.398
where: short stacking energy: -338.038
Base-Backbone interact. energy: 1.437
local terms energy: -368.881216
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -84.536
flat angles P-C4'-P energy: -48.559
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: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1039.624813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.624813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.624813 (E_RNA)
where:
Base-Base interactions energy: -671.168
where: short stacking energy: -300.731
Base-Backbone interact. energy: -1.267
local terms energy: -367.189344
where:
bonds (distance) C4'-P energy: -72.437
bonds (distance) P-C4' energy: -83.814
flat angles C4'-P-C4' energy: -82.325
flat angles P-C4'-P energy: -67.096
tors. eta vs tors. theta energy: -61.517
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: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -885.406087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.406087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.406087 (E_RNA)
where:
Base-Base interactions energy: -562.943
where: short stacking energy: -239.343
Base-Backbone interact. energy: 0.778
local terms energy: -323.241691
where:
bonds (distance) C4'-P energy: -72.757
bonds (distance) P-C4' energy: -86.731
flat angles C4'-P-C4' energy: -84.082
flat angles P-C4'-P energy: -51.843
tors. eta vs tors. theta energy: -27.829
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: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -645.247516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.247516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.247516 (E_RNA)
where:
Base-Base interactions energy: -366.202
where: short stacking energy: -205.937
Base-Backbone interact. energy: 0.198
local terms energy: -279.243352
where:
bonds (distance) C4'-P energy: -77.266
bonds (distance) P-C4' energy: -79.407
flat angles C4'-P-C4' energy: -76.013
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -28.131
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: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -543.085451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.085451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.085451 (E_RNA)
where:
Base-Base interactions energy: -282.769
where: short stacking energy: -157.235
Base-Backbone interact. energy: -0.432
local terms energy: -259.884276
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -79.793
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -11.533
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: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1632.535168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.535168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.535168 (E_RNA)
where:
Base-Base interactions energy: -1139.346
where: short stacking energy: -480.547
Base-Backbone interact. energy: -3.644
local terms energy: -489.544431
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -100.770
flat angles C4'-P-C4' energy: -103.936
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -131.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1576.704174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.704174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.704174 (E_RNA)
where:
Base-Base interactions energy: -1083.683
where: short stacking energy: -496.294
Base-Backbone interact. energy: -0.773
local terms energy: -492.248168
where:
bonds (distance) C4'-P energy: -88.700
bonds (distance) P-C4' energy: -91.732
flat angles C4'-P-C4' energy: -102.781
flat angles P-C4'-P energy: -64.100
tors. eta vs tors. theta energy: -144.936
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: 96
Temperature: 1.000000
Total energy: -1416.715833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.715833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.715833 (E_RNA)
where:
Base-Base interactions energy: -950.045
where: short stacking energy: -430.341
Base-Backbone interact. energy: -2.298
local terms energy: -464.373387
where:
bonds (distance) C4'-P energy: -86.998
bonds (distance) P-C4' energy: -93.530
flat angles C4'-P-C4' energy: -93.845
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -126.127
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1462.757183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.757183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.757183 (E_RNA)
where:
Base-Base interactions energy: -1023.096
where: short stacking energy: -423.156
Base-Backbone interact. energy: 1.988
local terms energy: -441.648430
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -95.789
flat angles C4'-P-C4' energy: -90.917
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -119.318
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: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1209.945328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.945328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.945328 (E_RNA)
where:
Base-Base interactions energy: -801.205
where: short stacking energy: -358.677
Base-Backbone interact. energy: -2.548
local terms energy: -406.192283
where:
bonds (distance) C4'-P energy: -84.817
bonds (distance) P-C4' energy: -80.615
flat angles C4'-P-C4' energy: -78.873
flat angles P-C4'-P energy: -63.881
tors. eta vs tors. theta energy: -98.006
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: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1180.667349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.667349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.667349 (E_RNA)
where:
Base-Base interactions energy: -774.882
where: short stacking energy: -343.801
Base-Backbone interact. energy: -3.233
local terms energy: -402.552057
where:
bonds (distance) C4'-P energy: -73.046
bonds (distance) P-C4' energy: -95.663
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -75.917
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1049.745907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.745907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.745907 (E_RNA)
where:
Base-Base interactions energy: -702.384
where: short stacking energy: -333.242
Base-Backbone interact. energy: -1.496
local terms energy: -345.866104
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -58.009
flat angles C4'-P-C4' energy: -81.253
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -75.949
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: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -913.284419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.284419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.284419 (E_RNA)
where:
Base-Base interactions energy: -604.275
where: short stacking energy: -282.610
Base-Backbone interact. energy: -3.036
local terms energy: -305.973114
where:
bonds (distance) C4'-P energy: -74.235
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -685.319268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.319268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.319268 (E_RNA)
where:
Base-Base interactions energy: -388.290
where: short stacking energy: -199.662
Base-Backbone interact. energy: -1.541
local terms energy: -295.488419
where:
bonds (distance) C4'-P energy: -87.825
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -53.527
flat angles P-C4'-P energy: -51.332
tors. eta vs tors. theta energy: -29.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -538.465383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.465383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.465383 (E_RNA)
where:
Base-Base interactions energy: -286.517
where: short stacking energy: -160.730
Base-Backbone interact. energy: -1.071
local terms energy: -250.876978
where:
bonds (distance) C4'-P energy: -57.992
bonds (distance) P-C4' energy: -83.213
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -47.165
tors. eta vs tors. theta energy: -9.153
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: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1619.818049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.818049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.818049 (E_RNA)
where:
Base-Base interactions energy: -1154.702
where: short stacking energy: -486.865
Base-Backbone interact. energy: -2.687
local terms energy: -462.429236
where:
bonds (distance) C4'-P energy: -87.636
bonds (distance) P-C4' energy: -82.604
flat angles C4'-P-C4' energy: -98.859
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -124.888
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: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1600.681289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.681289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.681289 (E_RNA)
where:
Base-Base interactions energy: -1097.766
where: short stacking energy: -502.511
Base-Backbone interact. energy: -1.197
local terms energy: -501.718634
where:
bonds (distance) C4'-P energy: -86.030
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -151.738
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1432.325520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.325520 (E_RNA)
where:
Base-Base interactions energy: -974.941
where: short stacking energy: -436.594
Base-Backbone interact. energy: -1.043
local terms energy: -456.341560
where:
bonds (distance) C4'-P energy: -86.016
bonds (distance) P-C4' energy: -92.363
flat angles C4'-P-C4' energy: -95.496
flat angles P-C4'-P energy: -64.195
tors. eta vs tors. theta energy: -118.272
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1421.015056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.015056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.015056 (E_RNA)
where:
Base-Base interactions energy: -980.351
where: short stacking energy: -405.180
Base-Backbone interact. energy: -1.933
local terms energy: -438.731417
where:
bonds (distance) C4'-P energy: -71.757
bonds (distance) P-C4' energy: -95.482
flat angles C4'-P-C4' energy: -89.808
flat angles P-C4'-P energy: -66.567
tors. eta vs tors. theta energy: -115.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1254.356172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.356172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.356172 (E_RNA)
where:
Base-Base interactions energy: -851.922
where: short stacking energy: -381.852
Base-Backbone interact. energy: -1.575
local terms energy: -400.859754
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -93.824
flat angles P-C4'-P energy: -57.011
tors. eta vs tors. theta energy: -93.742
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: 97
Temperature: 1.150000
Total energy: -1188.724916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.724916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.724916 (E_RNA)
where:
Base-Base interactions energy: -802.885
where: short stacking energy: -338.646
Base-Backbone interact. energy: -1.308
local terms energy: -384.531717
where:
bonds (distance) C4'-P energy: -77.829
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -86.055
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -87.385
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -985.774043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.774043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.774043 (E_RNA)
where:
Base-Base interactions energy: -650.119
where: short stacking energy: -303.625
Base-Backbone interact. energy: -3.735
local terms energy: -331.919949
where:
bonds (distance) C4'-P energy: -58.859
bonds (distance) P-C4' energy: -89.006
flat angles C4'-P-C4' energy: -86.307
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -54.151
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: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -915.440344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.440344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.440344 (E_RNA)
where:
Base-Base interactions energy: -593.432
where: short stacking energy: -301.900
Base-Backbone interact. energy: -2.266
local terms energy: -319.741982
where:
bonds (distance) C4'-P energy: -76.364
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -78.331
flat angles P-C4'-P energy: -56.546
tors. eta vs tors. theta energy: -45.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -712.220623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.220623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.220623 (E_RNA)
where:
Base-Base interactions energy: -438.710
where: short stacking energy: -237.008
Base-Backbone interact. energy: -2.009
local terms energy: -271.501457
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -68.745
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -35.444
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: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -581.218721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.218721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.218721 (E_RNA)
where:
Base-Base interactions energy: -331.637
where: short stacking energy: -155.180
Base-Backbone interact. energy: 3.101
local terms energy: -252.682344
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -75.947
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1610.985617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.985617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.985617 (E_RNA)
where:
Base-Base interactions energy: -1115.298
where: short stacking energy: -502.655
Base-Backbone interact. energy: -1.991
local terms energy: -493.696490
where:
bonds (distance) C4'-P energy: -88.301
bonds (distance) P-C4' energy: -98.607
flat angles C4'-P-C4' energy: -107.448
flat angles P-C4'-P energy: -57.360
tors. eta vs tors. theta energy: -141.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1593.991579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.991579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.991579 (E_RNA)
where:
Base-Base interactions energy: -1117.455
where: short stacking energy: -449.685
Base-Backbone interact. energy: -3.164
local terms energy: -473.372661
where:
bonds (distance) C4'-P energy: -79.384
bonds (distance) P-C4' energy: -87.392
flat angles C4'-P-C4' energy: -106.473
flat angles P-C4'-P energy: -72.479
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: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1456.441514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.441514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.441514 (E_RNA)
where:
Base-Base interactions energy: -999.912
where: short stacking energy: -449.330
Base-Backbone interact. energy: 1.201
local terms energy: -457.729943
where:
bonds (distance) C4'-P energy: -86.348
bonds (distance) P-C4' energy: -83.131
flat angles C4'-P-C4' energy: -110.114
flat angles P-C4'-P energy: -58.713
tors. eta vs tors. theta energy: -119.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1410.217670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.217670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.217670 (E_RNA)
where:
Base-Base interactions energy: -991.562
where: short stacking energy: -420.140
Base-Backbone interact. energy: -1.642
local terms energy: -417.014204
where:
bonds (distance) C4'-P energy: -73.904
bonds (distance) P-C4' energy: -77.889
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -108.379
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: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1213.103646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.103646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.103646 (E_RNA)
where:
Base-Base interactions energy: -835.423
where: short stacking energy: -364.713
Base-Backbone interact. energy: -1.347
local terms energy: -376.334411
where:
bonds (distance) C4'-P energy: -80.399
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -83.332
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: 98
Temperature: 1.150000
Total energy: -1160.236289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.236289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.236289 (E_RNA)
where:
Base-Base interactions energy: -768.829
where: short stacking energy: -342.731
Base-Backbone interact. energy: -3.184
local terms energy: -388.224048
where:
bonds (distance) C4'-P energy: -70.772
bonds (distance) P-C4' energy: -90.357
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -62.680
tors. eta vs tors. theta energy: -70.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1039.176344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.176344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.176344 (E_RNA)
where:
Base-Base interactions energy: -672.420
where: short stacking energy: -306.124
Base-Backbone interact. energy: -3.231
local terms energy: -363.525434
where:
bonds (distance) C4'-P energy: -81.607
bonds (distance) P-C4' energy: -82.605
flat angles C4'-P-C4' energy: -80.328
flat angles P-C4'-P energy: -53.882
tors. eta vs tors. theta energy: -65.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -917.628283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.628283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.628283 (E_RNA)
where:
Base-Base interactions energy: -588.968
where: short stacking energy: -283.852
Base-Backbone interact. energy: -1.199
local terms energy: -327.461491
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -79.951
flat angles C4'-P-C4' energy: -86.919
flat angles P-C4'-P energy: -42.351
tors. eta vs tors. theta energy: -58.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -713.878196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.878196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.878196 (E_RNA)
where:
Base-Base interactions energy: -412.709
where: short stacking energy: -207.328
Base-Backbone interact. energy: -1.133
local terms energy: -300.035867
where:
bonds (distance) C4'-P energy: -71.007
bonds (distance) P-C4' energy: -92.443
flat angles C4'-P-C4' energy: -58.298
flat angles P-C4'-P energy: -46.053
tors. eta vs tors. theta energy: -32.235
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: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -610.051842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.051842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.051842 (E_RNA)
where:
Base-Base interactions energy: -352.024
where: short stacking energy: -151.707
Base-Backbone interact. energy: 5.764
local terms energy: -263.790916
where:
bonds (distance) C4'-P energy: -72.457
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1610.784252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.784252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.784252 (E_RNA)
where:
Base-Base interactions energy: -1106.677
where: short stacking energy: -502.693
Base-Backbone interact. energy: -2.510
local terms energy: -501.597362
where:
bonds (distance) C4'-P energy: -94.911
bonds (distance) P-C4' energy: -93.747
flat angles C4'-P-C4' energy: -104.885
flat angles P-C4'-P energy: -61.159
tors. eta vs tors. theta energy: -146.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1591.196932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.196932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.196932 (E_RNA)
where:
Base-Base interactions energy: -1115.129
where: short stacking energy: -475.165
Base-Backbone interact. energy: -0.878
local terms energy: -475.189958
where:
bonds (distance) C4'-P energy: -87.309
bonds (distance) P-C4' energy: -94.665
flat angles C4'-P-C4' energy: -95.151
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -131.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1454.399687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.399687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.399687 (E_RNA)
where:
Base-Base interactions energy: -1006.874
where: short stacking energy: -443.532
Base-Backbone interact. energy: -4.087
local terms energy: -443.438403
where:
bonds (distance) C4'-P energy: -81.010
bonds (distance) P-C4' energy: -86.352
flat angles C4'-P-C4' energy: -97.994
flat angles P-C4'-P energy: -63.830
tors. eta vs tors. theta energy: -114.253
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1442.363587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.363587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.363587 (E_RNA)
where:
Base-Base interactions energy: -1014.310
where: short stacking energy: -470.401
Base-Backbone interact. energy: 2.858
local terms energy: -430.911670
where:
bonds (distance) C4'-P energy: -81.938
bonds (distance) P-C4' energy: -76.879
flat angles C4'-P-C4' energy: -86.801
flat angles P-C4'-P energy: -60.121
tors. eta vs tors. theta energy: -125.173
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: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1222.696489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.696489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.696489 (E_RNA)
where:
Base-Base interactions energy: -825.763
where: short stacking energy: -367.338
Base-Backbone interact. energy: -1.426
local terms energy: -395.507631
where:
bonds (distance) C4'-P energy: -67.552
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -92.983
flat angles P-C4'-P energy: -66.206
tors. eta vs tors. theta energy: -85.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1145.172236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.172236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.172236 (E_RNA)
where:
Base-Base interactions energy: -746.362
where: short stacking energy: -341.333
Base-Backbone interact. energy: -1.927
local terms energy: -396.883278
where:
bonds (distance) C4'-P energy: -74.278
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -88.767
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -95.408
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: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1049.136070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.136070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.136070 (E_RNA)
where:
Base-Base interactions energy: -721.191
where: short stacking energy: -314.707
Base-Backbone interact. energy: 0.235
local terms energy: -328.179775
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -49.046
tors. eta vs tors. theta energy: -60.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -941.958674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.958674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.958674 (E_RNA)
where:
Base-Base interactions energy: -612.732
where: short stacking energy: -292.601
Base-Backbone interact. energy: -2.757
local terms energy: -326.469531
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -77.144
flat angles C4'-P-C4' energy: -76.807
flat angles P-C4'-P energy: -49.220
tors. eta vs tors. theta energy: -47.636
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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -747.315192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.315192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.315192 (E_RNA)
where:
Base-Base interactions energy: -439.439
where: short stacking energy: -218.527
Base-Backbone interact. energy: 0.189
local terms energy: -308.065550
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -78.774
flat angles C4'-P-C4' energy: -91.419
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -25.729
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: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -555.250016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.250016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.250016 (E_RNA)
where:
Base-Base interactions energy: -316.374
where: short stacking energy: -177.612
Base-Backbone interact. energy: -3.156
local terms energy: -235.720575
where:
bonds (distance) C4'-P energy: -57.580
bonds (distance) P-C4' energy: -72.804
flat angles C4'-P-C4' energy: -54.916
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1645.499989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.499989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.499989 (E_RNA)
where:
Base-Base interactions energy: -1128.294
where: short stacking energy: -511.314
Base-Backbone interact. energy: -0.753
local terms energy: -516.452796
where:
bonds (distance) C4'-P energy: -97.895
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -106.919
flat angles P-C4'-P energy: -69.331
tors. eta vs tors. theta energy: -147.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1568.191093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.191093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.191093 (E_RNA)
where:
Base-Base interactions energy: -1100.198
where: short stacking energy: -475.858
Base-Backbone interact. energy: 1.429
local terms energy: -469.422205
where:
bonds (distance) C4'-P energy: -80.936
bonds (distance) P-C4' energy: -91.060
flat angles C4'-P-C4' energy: -97.591
flat angles P-C4'-P energy: -71.441
tors. eta vs tors. theta energy: -128.394
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1466.943258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.943258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.943258 (E_RNA)
where:
Base-Base interactions energy: -1012.922
where: short stacking energy: -447.878
Base-Backbone interact. energy: -2.403
local terms energy: -451.617495
where:
bonds (distance) C4'-P energy: -84.753
bonds (distance) P-C4' energy: -82.335
flat angles C4'-P-C4' energy: -97.608
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -121.061
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: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1436.756210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.756210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.756210 (E_RNA)
where:
Base-Base interactions energy: -974.181
where: short stacking energy: -444.129
Base-Backbone interact. energy: -2.411
local terms energy: -460.165049
where:
bonds (distance) C4'-P energy: -80.364
bonds (distance) P-C4' energy: -90.654
flat angles C4'-P-C4' energy: -97.690
flat angles P-C4'-P energy: -72.157
tors. eta vs tors. theta energy: -119.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1254.150882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.150882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.150882 (E_RNA)
where:
Base-Base interactions energy: -825.460
where: short stacking energy: -389.813
Base-Backbone interact. energy: -0.919
local terms energy: -427.771709
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -84.477
flat angles C4'-P-C4' energy: -88.469
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -106.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1133.652508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.652508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.652508 (E_RNA)
where:
Base-Base interactions energy: -746.926
where: short stacking energy: -331.179
Base-Backbone interact. energy: -2.000
local terms energy: -384.727080
where:
bonds (distance) C4'-P energy: -84.871
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -85.864
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -85.807
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: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1035.952276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.952276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.952276 (E_RNA)
where:
Base-Base interactions energy: -702.422
where: short stacking energy: -299.079
Base-Backbone interact. energy: 4.149
local terms energy: -337.679238
where:
bonds (distance) C4'-P energy: -60.597
bonds (distance) P-C4' energy: -84.028
flat angles C4'-P-C4' energy: -76.590
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -68.021
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: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -934.125578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.125578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.125578 (E_RNA)
where:
Base-Base interactions energy: -598.803
where: short stacking energy: -272.089
Base-Backbone interact. energy: 0.714
local terms energy: -336.036955
where:
bonds (distance) C4'-P energy: -75.199
bonds (distance) P-C4' energy: -95.116
flat angles C4'-P-C4' energy: -85.280
flat angles P-C4'-P energy: -42.019
tors. eta vs tors. theta energy: -38.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -765.473448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.473448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.473448 (E_RNA)
where:
Base-Base interactions energy: -470.573
where: short stacking energy: -243.960
Base-Backbone interact. energy: 0.657
local terms energy: -295.557750
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -44.417
tors. eta vs tors. theta energy: -46.039
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: 100
Temperature: 1.350000
Total energy: -597.818623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.818623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.818623 (E_RNA)
where:
Base-Base interactions energy: -325.857
where: short stacking energy: -193.595
Base-Backbone interact. energy: -0.163
local terms energy: -271.798367
where:
bonds (distance) C4'-P energy: -62.161
bonds (distance) P-C4' energy: -71.711
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1616.287969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.287969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.287969 (E_RNA)
where:
Base-Base interactions energy: -1127.135
where: short stacking energy: -512.548
Base-Backbone interact. energy: -2.217
local terms energy: -486.935559
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -92.141
flat angles C4'-P-C4' energy: -98.219
flat angles P-C4'-P energy: -62.777
tors. eta vs tors. theta energy: -144.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1571.812883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.812883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.812883 (E_RNA)
where:
Base-Base interactions energy: -1108.175
where: short stacking energy: -445.515
Base-Backbone interact. energy: -1.847
local terms energy: -461.790731
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -85.358
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -71.113
tors. eta vs tors. theta energy: -122.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1497.184303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.184303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.184303 (E_RNA)
where:
Base-Base interactions energy: -1043.590
where: short stacking energy: -462.639
Base-Backbone interact. energy: -1.433
local terms energy: -452.160716
where:
bonds (distance) C4'-P energy: -92.489
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -87.620
flat angles P-C4'-P energy: -55.550
tors. eta vs tors. theta energy: -131.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1451.679164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.679164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.679164 (E_RNA)
where:
Base-Base interactions energy: -985.407
where: short stacking energy: -422.313
Base-Backbone interact. energy: -2.127
local terms energy: -464.145655
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -98.439
flat angles C4'-P-C4' energy: -102.004
flat angles P-C4'-P energy: -58.343
tors. eta vs tors. theta energy: -125.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1302.460004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.460004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.460004 (E_RNA)
where:
Base-Base interactions energy: -848.981
where: short stacking energy: -412.909
Base-Backbone interact. energy: -2.492
local terms energy: -450.986708
where:
bonds (distance) C4'-P energy: -81.779
bonds (distance) P-C4' energy: -88.449
flat angles C4'-P-C4' energy: -101.129
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -120.490
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: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1070.726018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.726018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.726018 (E_RNA)
where:
Base-Base interactions energy: -710.528
where: short stacking energy: -318.861
Base-Backbone interact. energy: -1.055
local terms energy: -359.143050
where:
bonds (distance) C4'-P energy: -74.083
bonds (distance) P-C4' energy: -74.352
flat angles C4'-P-C4' energy: -80.079
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -71.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1047.781188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.781188 (E_RNA)
where:
Base-Base interactions energy: -689.492
where: short stacking energy: -326.630
Base-Backbone interact. energy: -1.178
local terms energy: -357.111894
where:
bonds (distance) C4'-P energy: -65.582
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -86.870
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -81.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -932.896304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.896304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.896304 (E_RNA)
where:
Base-Base interactions energy: -600.854
where: short stacking energy: -259.879
Base-Backbone interact. energy: -4.840
local terms energy: -327.202947
where:
bonds (distance) C4'-P energy: -68.018
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -92.449
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -693.661195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.661195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.661195 (E_RNA)
where:
Base-Base interactions energy: -399.205
where: short stacking energy: -195.238
Base-Backbone interact. energy: -0.574
local terms energy: -293.882052
where:
bonds (distance) C4'-P energy: -78.653
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -64.469
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -552.953445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.953445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.953445 (E_RNA)
where:
Base-Base interactions energy: -267.178
where: short stacking energy: -143.542
Base-Backbone interact. energy: -0.074
local terms energy: -285.701838
where:
bonds (distance) C4'-P energy: -69.990
bonds (distance) P-C4' energy: -79.393
flat angles C4'-P-C4' energy: -70.896
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1630.881896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.881896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.881896 (E_RNA)
where:
Base-Base interactions energy: -1142.304
where: short stacking energy: -511.925
Base-Backbone interact. energy: -0.192
local terms energy: -488.385587
where:
bonds (distance) C4'-P energy: -89.223
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -142.173
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: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1560.784639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.784639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.784639 (E_RNA)
where:
Base-Base interactions energy: -1104.272
where: short stacking energy: -445.090
Base-Backbone interact. energy: 1.190
local terms energy: -457.702892
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -94.407
flat angles P-C4'-P energy: -71.378
tors. eta vs tors. theta energy: -116.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1505.740541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.740541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.740541 (E_RNA)
where:
Base-Base interactions energy: -1049.266
where: short stacking energy: -457.719
Base-Backbone interact. energy: 0.085
local terms energy: -456.559893
where:
bonds (distance) C4'-P energy: -85.465
bonds (distance) P-C4' energy: -81.988
flat angles C4'-P-C4' energy: -91.710
flat angles P-C4'-P energy: -68.812
tors. eta vs tors. theta energy: -128.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1447.198779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.198779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.198779 (E_RNA)
where:
Base-Base interactions energy: -993.090
where: short stacking energy: -434.146
Base-Backbone interact. energy: -1.466
local terms energy: -452.643000
where:
bonds (distance) C4'-P energy: -86.995
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -94.194
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -125.385
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: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1288.622399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.622399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.622399 (E_RNA)
where:
Base-Base interactions energy: -881.133
where: short stacking energy: -393.978
Base-Backbone interact. energy: -1.610
local terms energy: -405.879378
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -84.394
flat angles C4'-P-C4' energy: -84.484
flat angles P-C4'-P energy: -56.013
tors. eta vs tors. theta energy: -101.745
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1112.102876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.102876 (E_RNA)
where:
Base-Base interactions energy: -747.571
where: short stacking energy: -321.294
Base-Backbone interact. energy: -1.278
local terms energy: -363.253388
where:
bonds (distance) C4'-P energy: -68.143
bonds (distance) P-C4' energy: -78.123
flat angles C4'-P-C4' energy: -84.266
flat angles P-C4'-P energy: -61.708
tors. eta vs tors. theta energy: -71.014
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: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1063.037412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.037412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.037412 (E_RNA)
where:
Base-Base interactions energy: -701.736
where: short stacking energy: -311.248
Base-Backbone interact. energy: -1.534
local terms energy: -359.767780
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -74.711
flat angles C4'-P-C4' energy: -87.284
flat angles P-C4'-P energy: -53.381
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -879.344962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.344962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.344962 (E_RNA)
where:
Base-Base interactions energy: -579.279
where: short stacking energy: -277.101
Base-Backbone interact. energy: 0.110
local terms energy: -300.175883
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -69.981
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: -47.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -701.886068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.886068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.886068 (E_RNA)
where:
Base-Base interactions energy: -437.951
where: short stacking energy: -234.041
Base-Backbone interact. energy: -1.923
local terms energy: -262.012087
where:
bonds (distance) C4'-P energy: -65.712
bonds (distance) P-C4' energy: -81.024
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -541.670508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.670508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.670508 (E_RNA)
where:
Base-Base interactions energy: -294.211
where: short stacking energy: -144.352
Base-Backbone interact. energy: -0.393
local terms energy: -247.066120
where:
bonds (distance) C4'-P energy: -74.543
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1624.944119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.944119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.944119 (E_RNA)
where:
Base-Base interactions energy: -1125.546
where: short stacking energy: -493.811
Base-Backbone interact. energy: -3.593
local terms energy: -495.805030
where:
bonds (distance) C4'-P energy: -79.565
bonds (distance) P-C4' energy: -88.272
flat angles C4'-P-C4' energy: -107.264
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -147.997
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: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1577.153301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.153301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.153301 (E_RNA)
where:
Base-Base interactions energy: -1104.444
where: short stacking energy: -470.267
Base-Backbone interact. energy: -5.285
local terms energy: -467.424341
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -107.787
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -123.408
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1458.942545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.942545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.942545 (E_RNA)
where:
Base-Base interactions energy: -1010.393
where: short stacking energy: -438.906
Base-Backbone interact. energy: 0.099
local terms energy: -448.647992
where:
bonds (distance) C4'-P energy: -89.600
bonds (distance) P-C4' energy: -75.449
flat angles C4'-P-C4' energy: -94.498
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -118.452
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: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1431.665340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.665340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.665340 (E_RNA)
where:
Base-Base interactions energy: -995.292
where: short stacking energy: -424.690
Base-Backbone interact. energy: -3.268
local terms energy: -433.104912
where:
bonds (distance) C4'-P energy: -87.841
bonds (distance) P-C4' energy: -77.244
flat angles C4'-P-C4' energy: -90.252
flat angles P-C4'-P energy: -53.498
tors. eta vs tors. theta energy: -124.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1276.430272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.430272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.430272 (E_RNA)
where:
Base-Base interactions energy: -845.196
where: short stacking energy: -398.884
Base-Backbone interact. energy: -2.383
local terms energy: -428.851667
where:
bonds (distance) C4'-P energy: -74.929
bonds (distance) P-C4' energy: -82.933
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -59.839
tors. eta vs tors. theta energy: -106.305
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: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1169.843664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.843664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.843664 (E_RNA)
where:
Base-Base interactions energy: -787.508
where: short stacking energy: -359.274
Base-Backbone interact. energy: -2.258
local terms energy: -380.077111
where:
bonds (distance) C4'-P energy: -78.708
bonds (distance) P-C4' energy: -83.620
flat angles C4'-P-C4' energy: -86.123
flat angles P-C4'-P energy: -51.545
tors. eta vs tors. theta energy: -80.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1056.452355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.452355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.452355 (E_RNA)
where:
Base-Base interactions energy: -690.587
where: short stacking energy: -321.009
Base-Backbone interact. energy: 1.429
local terms energy: -367.293733
where:
bonds (distance) C4'-P energy: -77.880
bonds (distance) P-C4' energy: -69.466
flat angles C4'-P-C4' energy: -92.054
flat angles P-C4'-P energy: -62.564
tors. eta vs tors. theta energy: -65.329
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: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -843.793328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.793328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.793328 (E_RNA)
where:
Base-Base interactions energy: -551.340
where: short stacking energy: -263.238
Base-Backbone interact. energy: 8.022
local terms energy: -300.475396
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -76.835
flat angles C4'-P-C4' energy: -78.037
flat angles P-C4'-P energy: -52.651
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -688.732536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.732536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.732536 (E_RNA)
where:
Base-Base interactions energy: -379.612
where: short stacking energy: -194.960
Base-Backbone interact. energy: 7.000
local terms energy: -316.120667
where:
bonds (distance) C4'-P energy: -80.162
bonds (distance) P-C4' energy: -83.921
flat angles C4'-P-C4' energy: -75.896
flat angles P-C4'-P energy: -54.037
tors. eta vs tors. theta energy: -22.105
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: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -598.289330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.289330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.289330 (E_RNA)
where:
Base-Base interactions energy: -340.073
where: short stacking energy: -164.885
Base-Backbone interact. energy: -0.614
local terms energy: -257.602363
where:
bonds (distance) C4'-P energy: -63.989
bonds (distance) P-C4' energy: -81.043
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -15.423
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: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1601.746251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.746251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.746251 (E_RNA)
where:
Base-Base interactions energy: -1106.968
where: short stacking energy: -460.113
Base-Backbone interact. energy: -3.666
local terms energy: -491.113034
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -98.792
flat angles C4'-P-C4' energy: -100.347
flat angles P-C4'-P energy: -74.312
tors. eta vs tors. theta energy: -124.468
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1602.781090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.781090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.781090 (E_RNA)
where:
Base-Base interactions energy: -1096.203
where: short stacking energy: -490.267
Base-Backbone interact. energy: 2.771
local terms energy: -509.349710
where:
bonds (distance) C4'-P energy: -95.613
bonds (distance) P-C4' energy: -96.627
flat angles C4'-P-C4' energy: -103.385
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -142.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1441.295276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.295276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.295276 (E_RNA)
where:
Base-Base interactions energy: -982.725
where: short stacking energy: -431.044
Base-Backbone interact. energy: 1.333
local terms energy: -459.902786
where:
bonds (distance) C4'-P energy: -84.926
bonds (distance) P-C4' energy: -94.565
flat angles C4'-P-C4' energy: -93.890
flat angles P-C4'-P energy: -67.919
tors. eta vs tors. theta energy: -118.603
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: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1441.011263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.011263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.011263 (E_RNA)
where:
Base-Base interactions energy: -1013.069
where: short stacking energy: -428.581
Base-Backbone interact. energy: 4.548
local terms energy: -432.490372
where:
bonds (distance) C4'-P energy: -86.809
bonds (distance) P-C4' energy: -88.388
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -61.644
tors. eta vs tors. theta energy: -111.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1262.760315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.760315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.760315 (E_RNA)
where:
Base-Base interactions energy: -855.946
where: short stacking energy: -370.098
Base-Backbone interact. energy: -0.526
local terms energy: -406.288185
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -79.117
flat angles C4'-P-C4' energy: -98.316
flat angles P-C4'-P energy: -53.278
tors. eta vs tors. theta energy: -89.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1161.027496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.027496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.027496 (E_RNA)
where:
Base-Base interactions energy: -778.514
where: short stacking energy: -338.911
Base-Backbone interact. energy: -1.445
local terms energy: -381.068951
where:
bonds (distance) C4'-P energy: -73.226
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -91.289
flat angles P-C4'-P energy: -49.404
tors. eta vs tors. theta energy: -89.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1141.101887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.101887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.101887 (E_RNA)
where:
Base-Base interactions energy: -781.073
where: short stacking energy: -331.608
Base-Backbone interact. energy: -2.292
local terms energy: -357.736330
where:
bonds (distance) C4'-P energy: -78.628
bonds (distance) P-C4' energy: -77.325
flat angles C4'-P-C4' energy: -74.133
flat angles P-C4'-P energy: -49.551
tors. eta vs tors. theta energy: -78.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -895.919820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.919820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.919820 (E_RNA)
where:
Base-Base interactions energy: -576.473
where: short stacking energy: -274.995
Base-Backbone interact. energy: -2.294
local terms energy: -317.152239
where:
bonds (distance) C4'-P energy: -65.109
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -78.912
flat angles P-C4'-P energy: -49.834
tors. eta vs tors. theta energy: -49.083
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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -674.887923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.887923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.887923 (E_RNA)
where:
Base-Base interactions energy: -402.626
where: short stacking energy: -217.628
Base-Backbone interact. energy: 0.159
local terms energy: -272.420760
where:
bonds (distance) C4'-P energy: -72.267
bonds (distance) P-C4' energy: -78.220
flat angles C4'-P-C4' energy: -68.517
flat angles P-C4'-P energy: -28.715
tors. eta vs tors. theta energy: -24.702
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: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -611.311417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.311417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.311417 (E_RNA)
where:
Base-Base interactions energy: -362.657
where: short stacking energy: -172.138
Base-Backbone interact. energy: 0.064
local terms energy: -248.718570
where:
bonds (distance) C4'-P energy: -64.725
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1588.798392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.798392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.798392 (E_RNA)
where:
Base-Base interactions energy: -1107.203
where: short stacking energy: -463.900
Base-Backbone interact. energy: -3.163
local terms energy: -478.432848
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -100.837
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -71.156
tors. eta vs tors. theta energy: -128.215
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: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1594.333291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.333291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.333291 (E_RNA)
where:
Base-Base interactions energy: -1110.065
where: short stacking energy: -488.003
Base-Backbone interact. energy: -3.113
local terms energy: -481.154506
where:
bonds (distance) C4'-P energy: -77.470
bonds (distance) P-C4' energy: -88.043
flat angles C4'-P-C4' energy: -105.010
flat angles P-C4'-P energy: -74.337
tors. eta vs tors. theta energy: -136.295
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: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1485.952049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.952049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.952049 (E_RNA)
where:
Base-Base interactions energy: -1013.462
where: short stacking energy: -452.339
Base-Backbone interact. energy: -2.236
local terms energy: -470.253392
where:
bonds (distance) C4'-P energy: -86.120
bonds (distance) P-C4' energy: -90.949
flat angles C4'-P-C4' energy: -99.349
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -129.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1439.278084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.278084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.278084 (E_RNA)
where:
Base-Base interactions energy: -983.339
where: short stacking energy: -441.588
Base-Backbone interact. energy: -1.786
local terms energy: -454.153627
where:
bonds (distance) C4'-P energy: -93.314
bonds (distance) P-C4' energy: -83.682
flat angles C4'-P-C4' energy: -96.012
flat angles P-C4'-P energy: -61.509
tors. eta vs tors. theta energy: -119.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1281.532044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.532044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.532044 (E_RNA)
where:
Base-Base interactions energy: -854.467
where: short stacking energy: -396.535
Base-Backbone interact. energy: -0.228
local terms energy: -426.837045
where:
bonds (distance) C4'-P energy: -77.457
bonds (distance) P-C4' energy: -87.224
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -60.120
tors. eta vs tors. theta energy: -114.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1167.181908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.181908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.181908 (E_RNA)
where:
Base-Base interactions energy: -751.144
where: short stacking energy: -353.497
Base-Backbone interact. energy: -1.075
local terms energy: -414.962705
where:
bonds (distance) C4'-P energy: -93.138
bonds (distance) P-C4' energy: -85.151
flat angles C4'-P-C4' energy: -88.988
flat angles P-C4'-P energy: -56.953
tors. eta vs tors. theta energy: -90.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1145.774311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.774311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.774311 (E_RNA)
where:
Base-Base interactions energy: -765.242
where: short stacking energy: -345.422
Base-Backbone interact. energy: -2.193
local terms energy: -378.338887
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -88.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -917.990802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.990802 (E_RNA)
where:
Base-Base interactions energy: -571.265
where: short stacking energy: -268.972
Base-Backbone interact. energy: 1.230
local terms energy: -347.955293
where:
bonds (distance) C4'-P energy: -64.340
bonds (distance) P-C4' energy: -80.338
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -56.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -717.386058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.386058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.386058 (E_RNA)
where:
Base-Base interactions energy: -406.568
where: short stacking energy: -222.143
Base-Backbone interact. energy: -1.966
local terms energy: -308.852447
where:
bonds (distance) C4'-P energy: -70.837
bonds (distance) P-C4' energy: -78.142
flat angles C4'-P-C4' energy: -77.852
flat angles P-C4'-P energy: -46.787
tors. eta vs tors. theta energy: -35.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -640.240000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.240000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.240000 (E_RNA)
where:
Base-Base interactions energy: -366.736
where: short stacking energy: -189.250
Base-Backbone interact. energy: 0.124
local terms energy: -273.627579
where:
bonds (distance) C4'-P energy: -71.495
bonds (distance) P-C4' energy: -77.482
flat angles C4'-P-C4' energy: -67.327
flat angles P-C4'-P energy: -46.223
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: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1625.463102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.463102 (E_RNA)
where:
Base-Base interactions energy: -1118.621
where: short stacking energy: -497.460
Base-Backbone interact. energy: -2.364
local terms energy: -504.478583
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -93.288
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -79.800
tors. eta vs tors. theta energy: -139.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1561.699174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.699174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.699174 (E_RNA)
where:
Base-Base interactions energy: -1093.978
where: short stacking energy: -449.215
Base-Backbone interact. energy: 5.997
local terms energy: -473.718357
where:
bonds (distance) C4'-P energy: -83.536
bonds (distance) P-C4' energy: -87.831
flat angles C4'-P-C4' energy: -107.483
flat angles P-C4'-P energy: -65.037
tors. eta vs tors. theta energy: -129.831
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: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1475.533370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.533370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.533370 (E_RNA)
where:
Base-Base interactions energy: -1020.481
where: short stacking energy: -453.050
Base-Backbone interact. energy: -0.847
local terms energy: -454.204836
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -78.442
flat angles C4'-P-C4' energy: -94.134
flat angles P-C4'-P energy: -61.165
tors. eta vs tors. theta energy: -125.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1463.146209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.146209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.146209 (E_RNA)
where:
Base-Base interactions energy: -1001.259
where: short stacking energy: -444.682
Base-Backbone interact. energy: -3.353
local terms energy: -458.533795
where:
bonds (distance) C4'-P energy: -86.428
bonds (distance) P-C4' energy: -90.386
flat angles C4'-P-C4' energy: -101.935
flat angles P-C4'-P energy: -51.099
tors. eta vs tors. theta energy: -128.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1251.837771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.837771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.837771 (E_RNA)
where:
Base-Base interactions energy: -841.938
where: short stacking energy: -401.890
Base-Backbone interact. energy: -1.497
local terms energy: -408.402084
where:
bonds (distance) C4'-P energy: -82.103
bonds (distance) P-C4' energy: -72.348
flat angles C4'-P-C4' energy: -82.978
flat angles P-C4'-P energy: -63.751
tors. eta vs tors. theta energy: -107.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1166.277305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.277305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.277305 (E_RNA)
where:
Base-Base interactions energy: -788.659
where: short stacking energy: -359.071
Base-Backbone interact. energy: -1.494
local terms energy: -376.124397
where:
bonds (distance) C4'-P energy: -67.029
bonds (distance) P-C4' energy: -89.825
flat angles C4'-P-C4' energy: -84.245
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: -98.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1136.747265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.747265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.747265 (E_RNA)
where:
Base-Base interactions energy: -773.339
where: short stacking energy: -347.091
Base-Backbone interact. energy: -0.844
local terms energy: -362.564556
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -75.511
flat angles C4'-P-C4' energy: -68.958
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -89.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -929.117652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.117652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.117652 (E_RNA)
where:
Base-Base interactions energy: -603.845
where: short stacking energy: -274.799
Base-Backbone interact. energy: 3.221
local terms energy: -328.493778
where:
bonds (distance) C4'-P energy: -77.656
bonds (distance) P-C4' energy: -79.176
flat angles C4'-P-C4' energy: -68.053
flat angles P-C4'-P energy: -60.443
tors. eta vs tors. theta energy: -43.166
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: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -737.989363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.989363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.989363 (E_RNA)
where:
Base-Base interactions energy: -429.477
where: short stacking energy: -221.439
Base-Backbone interact. energy: -3.277
local terms energy: -305.235056
where:
bonds (distance) C4'-P energy: -82.580
bonds (distance) P-C4' energy: -78.998
flat angles C4'-P-C4' energy: -65.572
flat angles P-C4'-P energy: -59.487
tors. eta vs tors. theta energy: -18.598
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: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -682.834065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.834065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.834065 (E_RNA)
where:
Base-Base interactions energy: -379.705
where: short stacking energy: -201.250
Base-Backbone interact. energy: -0.598
local terms energy: -302.531052
where:
bonds (distance) C4'-P energy: -75.114
bonds (distance) P-C4' energy: -79.916
flat angles C4'-P-C4' energy: -62.564
flat angles P-C4'-P energy: -51.221
tors. eta vs tors. theta energy: -33.716
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1627.797942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.797942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.797942 (E_RNA)
where:
Base-Base interactions energy: -1130.528
where: short stacking energy: -508.264
Base-Backbone interact. energy: -0.594
local terms energy: -496.676454
where:
bonds (distance) C4'-P energy: -93.819
bonds (distance) P-C4' energy: -87.238
flat angles C4'-P-C4' energy: -103.490
flat angles P-C4'-P energy: -74.932
tors. eta vs tors. theta energy: -137.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1565.151134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.151134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.151134 (E_RNA)
where:
Base-Base interactions energy: -1091.156
where: short stacking energy: -468.333
Base-Backbone interact. energy: 5.672
local terms energy: -479.667674
where:
bonds (distance) C4'-P energy: -79.530
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -106.287
flat angles P-C4'-P energy: -63.095
tors. eta vs tors. theta energy: -137.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1501.680571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.680571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.680571 (E_RNA)
where:
Base-Base interactions energy: -1030.874
where: short stacking energy: -450.571
Base-Backbone interact. energy: -2.330
local terms energy: -468.476666
where:
bonds (distance) C4'-P energy: -87.011
bonds (distance) P-C4' energy: -84.847
flat angles C4'-P-C4' energy: -104.745
flat angles P-C4'-P energy: -61.119
tors. eta vs tors. theta energy: -130.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1452.209224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.209224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.209224 (E_RNA)
where:
Base-Base interactions energy: -1007.471
where: short stacking energy: -417.276
Base-Backbone interact. energy: -2.928
local terms energy: -441.810445
where:
bonds (distance) C4'-P energy: -84.745
bonds (distance) P-C4' energy: -75.853
flat angles C4'-P-C4' energy: -97.302
flat angles P-C4'-P energy: -64.479
tors. eta vs tors. theta energy: -119.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1206.937025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.937025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.937025 (E_RNA)
where:
Base-Base interactions energy: -794.967
where: short stacking energy: -374.448
Base-Backbone interact. energy: -1.216
local terms energy: -410.754004
where:
bonds (distance) C4'-P energy: -94.218
bonds (distance) P-C4' energy: -81.542
flat angles C4'-P-C4' energy: -86.524
flat angles P-C4'-P energy: -58.009
tors. eta vs tors. theta energy: -90.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1188.173882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.173882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.173882 (E_RNA)
where:
Base-Base interactions energy: -800.383
where: short stacking energy: -362.759
Base-Backbone interact. energy: -3.184
local terms energy: -384.607637
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -87.335
flat angles C4'-P-C4' energy: -85.681
flat angles P-C4'-P energy: -46.365
tors. eta vs tors. theta energy: -82.790
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1071.709762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.709762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.709762 (E_RNA)
where:
Base-Base interactions energy: -698.689
where: short stacking energy: -306.764
Base-Backbone interact. energy: -1.896
local terms energy: -371.124304
where:
bonds (distance) C4'-P energy: -83.843
bonds (distance) P-C4' energy: -71.268
flat angles C4'-P-C4' energy: -78.378
flat angles P-C4'-P energy: -58.809
tors. eta vs tors. theta energy: -78.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -928.630096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.630096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.630096 (E_RNA)
where:
Base-Base interactions energy: -590.550
where: short stacking energy: -271.199
Base-Backbone interact. energy: -2.435
local terms energy: -335.644426
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -87.149
flat angles C4'-P-C4' energy: -69.025
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -53.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -718.471619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.471619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.471619 (E_RNA)
where:
Base-Base interactions energy: -430.507
where: short stacking energy: -221.548
Base-Backbone interact. energy: 3.762
local terms energy: -291.727303
where:
bonds (distance) C4'-P energy: -71.196
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -79.983
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -32.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -615.385729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.385729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.385729 (E_RNA)
where:
Base-Base interactions energy: -333.270
where: short stacking energy: -163.891
Base-Backbone interact. energy: 3.110
local terms energy: -285.225254
where:
bonds (distance) C4'-P energy: -68.499
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1621.741291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.741291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.741291 (E_RNA)
where:
Base-Base interactions energy: -1119.522
where: short stacking energy: -514.105
Base-Backbone interact. energy: -0.136
local terms energy: -502.083354
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -96.781
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -71.348
tors. eta vs tors. theta energy: -149.852
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: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1543.238724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.238724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.238724 (E_RNA)
where:
Base-Base interactions energy: -1078.555
where: short stacking energy: -444.552
Base-Backbone interact. energy: -4.170
local terms energy: -460.513846
where:
bonds (distance) C4'-P energy: -80.154
bonds (distance) P-C4' energy: -98.115
flat angles C4'-P-C4' energy: -104.091
flat angles P-C4'-P energy: -65.589
tors. eta vs tors. theta energy: -112.565
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: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1481.788728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.788728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.788728 (E_RNA)
where:
Base-Base interactions energy: -1016.049
where: short stacking energy: -467.993
Base-Backbone interact. energy: -2.553
local terms energy: -463.186951
where:
bonds (distance) C4'-P energy: -88.897
bonds (distance) P-C4' energy: -79.855
flat angles C4'-P-C4' energy: -103.055
flat angles P-C4'-P energy: -67.377
tors. eta vs tors. theta energy: -124.002
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: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1384.623724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.623724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.623724 (E_RNA)
where:
Base-Base interactions energy: -959.967
where: short stacking energy: -412.106
Base-Backbone interact. energy: -1.566
local terms energy: -423.090722
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -93.867
flat angles C4'-P-C4' energy: -98.476
flat angles P-C4'-P energy: -60.536
tors. eta vs tors. theta energy: -102.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1202.276866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.276866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.276866 (E_RNA)
where:
Base-Base interactions energy: -789.057
where: short stacking energy: -335.257
Base-Backbone interact. energy: -3.645
local terms energy: -409.575309
where:
bonds (distance) C4'-P energy: -82.117
bonds (distance) P-C4' energy: -97.928
flat angles C4'-P-C4' energy: -86.563
flat angles P-C4'-P energy: -57.904
tors. eta vs tors. theta energy: -85.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1159.775611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.775611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.775611 (E_RNA)
where:
Base-Base interactions energy: -780.773
where: short stacking energy: -359.185
Base-Backbone interact. energy: 0.861
local terms energy: -379.862999
where:
bonds (distance) C4'-P energy: -66.885
bonds (distance) P-C4' energy: -67.158
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -95.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1088.913803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.913803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.913803 (E_RNA)
where:
Base-Base interactions energy: -743.957
where: short stacking energy: -314.944
Base-Backbone interact. energy: -4.903
local terms energy: -340.053648
where:
bonds (distance) C4'-P energy: -71.291
bonds (distance) P-C4' energy: -80.162
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: -64.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -914.789526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.789526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.789526 (E_RNA)
where:
Base-Base interactions energy: -595.755
where: short stacking energy: -261.996
Base-Backbone interact. energy: -0.498
local terms energy: -318.536545
where:
bonds (distance) C4'-P energy: -64.914
bonds (distance) P-C4' energy: -72.289
flat angles C4'-P-C4' energy: -89.228
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -51.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -733.467561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.467561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.467561 (E_RNA)
where:
Base-Base interactions energy: -434.942
where: short stacking energy: -227.726
Base-Backbone interact. energy: 2.092
local terms energy: -300.617680
where:
bonds (distance) C4'-P energy: -69.877
bonds (distance) P-C4' energy: -81.746
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -37.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -623.803794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.803794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.803794 (E_RNA)
where:
Base-Base interactions energy: -325.942
where: short stacking energy: -188.402
Base-Backbone interact. energy: 6.685
local terms energy: -304.546143
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -73.882
flat angles C4'-P-C4' energy: -68.592
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1628.913199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.913199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.913199 (E_RNA)
where:
Base-Base interactions energy: -1119.993
where: short stacking energy: -510.037
Base-Backbone interact. energy: -1.948
local terms energy: -506.972729
where:
bonds (distance) C4'-P energy: -90.411
bonds (distance) P-C4' energy: -94.032
flat angles C4'-P-C4' energy: -101.847
flat angles P-C4'-P energy: -77.108
tors. eta vs tors. theta energy: -143.574
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1516.547366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.547366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.547366 (E_RNA)
where:
Base-Base interactions energy: -1033.166
where: short stacking energy: -458.164
Base-Backbone interact. energy: -2.099
local terms energy: -481.281547
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -89.133
flat angles C4'-P-C4' energy: -109.241
flat angles P-C4'-P energy: -71.750
tors. eta vs tors. theta energy: -128.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1509.902753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.902753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.902753 (E_RNA)
where:
Base-Base interactions energy: -1059.800
where: short stacking energy: -447.905
Base-Backbone interact. energy: -1.452
local terms energy: -448.651284
where:
bonds (distance) C4'-P energy: -72.999
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -91.111
flat angles P-C4'-P energy: -65.447
tors. eta vs tors. theta energy: -115.747
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: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1362.302294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.302294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.302294 (E_RNA)
where:
Base-Base interactions energy: -919.331
where: short stacking energy: -413.464
Base-Backbone interact. energy: -3.619
local terms energy: -439.352174
where:
bonds (distance) C4'-P energy: -87.362
bonds (distance) P-C4' energy: -85.366
flat angles C4'-P-C4' energy: -80.351
flat angles P-C4'-P energy: -70.211
tors. eta vs tors. theta energy: -116.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1197.894137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.894137 (E_RNA)
where:
Base-Base interactions energy: -778.623
where: short stacking energy: -351.400
Base-Backbone interact. energy: -2.510
local terms energy: -416.761159
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -87.034
flat angles C4'-P-C4' energy: -103.129
flat angles P-C4'-P energy: -49.616
tors. eta vs tors. theta energy: -94.985
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: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1196.815394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.815394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.815394 (E_RNA)
where:
Base-Base interactions energy: -799.566
where: short stacking energy: -368.376
Base-Backbone interact. energy: -2.065
local terms energy: -395.184165
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -75.129
flat angles C4'-P-C4' energy: -95.752
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: -91.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1125.012699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.012699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.012699 (E_RNA)
where:
Base-Base interactions energy: -794.808
where: short stacking energy: -334.910
Base-Backbone interact. energy: 3.248
local terms energy: -333.453279
where:
bonds (distance) C4'-P energy: -54.834
bonds (distance) P-C4' energy: -74.078
flat angles C4'-P-C4' energy: -79.173
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -74.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -911.543264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.543264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.543264 (E_RNA)
where:
Base-Base interactions energy: -571.026
where: short stacking energy: -253.272
Base-Backbone interact. energy: 2.047
local terms energy: -342.565004
where:
bonds (distance) C4'-P energy: -79.109
bonds (distance) P-C4' energy: -84.671
flat angles C4'-P-C4' energy: -82.474
flat angles P-C4'-P energy: -55.109
tors. eta vs tors. theta energy: -41.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -729.873608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.873608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.873608 (E_RNA)
where:
Base-Base interactions energy: -424.841
where: short stacking energy: -210.304
Base-Backbone interact. energy: 1.897
local terms energy: -306.929894
where:
bonds (distance) C4'-P energy: -72.902
bonds (distance) P-C4' energy: -87.032
flat angles C4'-P-C4' energy: -67.468
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -680.395796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.395796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.395796 (E_RNA)
where:
Base-Base interactions energy: -404.253
where: short stacking energy: -226.399
Base-Backbone interact. energy: -1.315
local terms energy: -274.827699
where:
bonds (distance) C4'-P energy: -69.086
bonds (distance) P-C4' energy: -63.960
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -35.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1628.155592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.155592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.155592 (E_RNA)
where:
Base-Base interactions energy: -1116.609
where: short stacking energy: -515.094
Base-Backbone interact. energy: -1.164
local terms energy: -510.382239
where:
bonds (distance) C4'-P energy: -90.659
bonds (distance) P-C4' energy: -88.909
flat angles C4'-P-C4' energy: -107.152
flat angles P-C4'-P energy: -78.709
tors. eta vs tors. theta energy: -144.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1517.845530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.845530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.845530 (E_RNA)
where:
Base-Base interactions energy: -1036.060
where: short stacking energy: -466.685
Base-Backbone interact. energy: -1.637
local terms energy: -480.148229
where:
bonds (distance) C4'-P energy: -85.102
bonds (distance) P-C4' energy: -90.720
flat angles C4'-P-C4' energy: -107.215
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -125.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1511.065054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.065054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.065054 (E_RNA)
where:
Base-Base interactions energy: -1055.391
where: short stacking energy: -452.310
Base-Backbone interact. energy: -2.315
local terms energy: -453.359341
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -102.074
flat angles P-C4'-P energy: -60.475
tors. eta vs tors. theta energy: -122.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1336.103453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.103453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.103453 (E_RNA)
where:
Base-Base interactions energy: -933.006
where: short stacking energy: -397.507
Base-Backbone interact. energy: -1.091
local terms energy: -402.007217
where:
bonds (distance) C4'-P energy: -78.160
bonds (distance) P-C4' energy: -77.417
flat angles C4'-P-C4' energy: -89.479
flat angles P-C4'-P energy: -50.995
tors. eta vs tors. theta energy: -105.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1217.632422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.632422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.632422 (E_RNA)
where:
Base-Base interactions energy: -806.584
where: short stacking energy: -394.163
Base-Backbone interact. energy: -0.829
local terms energy: -410.219614
where:
bonds (distance) C4'-P energy: -79.607
bonds (distance) P-C4' energy: -86.365
flat angles C4'-P-C4' energy: -91.887
flat angles P-C4'-P energy: -51.798
tors. eta vs tors. theta energy: -100.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1119.776988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.776988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.776988 (E_RNA)
where:
Base-Base interactions energy: -763.567
where: short stacking energy: -355.566
Base-Backbone interact. energy: 0.011
local terms energy: -356.220582
where:
bonds (distance) C4'-P energy: -75.361
bonds (distance) P-C4' energy: -75.351
flat angles C4'-P-C4' energy: -80.365
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -72.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1157.162240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.162240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.162240 (E_RNA)
where:
Base-Base interactions energy: -811.274
where: short stacking energy: -339.845
Base-Backbone interact. energy: 0.962
local terms energy: -346.850751
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -82.958
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -77.186
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: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -914.485373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.485373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.485373 (E_RNA)
where:
Base-Base interactions energy: -581.799
where: short stacking energy: -244.805
Base-Backbone interact. energy: -0.876
local terms energy: -331.810363
where:
bonds (distance) C4'-P energy: -76.486
bonds (distance) P-C4' energy: -78.147
flat angles C4'-P-C4' energy: -80.280
flat angles P-C4'-P energy: -53.994
tors. eta vs tors. theta energy: -42.903
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: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -685.008967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.008967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.008967 (E_RNA)
where:
Base-Base interactions energy: -399.474
where: short stacking energy: -198.552
Base-Backbone interact. energy: -0.399
local terms energy: -285.135660
where:
bonds (distance) C4'-P energy: -83.078
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -50.103
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -596.136552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.136552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.136552 (E_RNA)
where:
Base-Base interactions energy: -312.352
where: short stacking energy: -162.123
Base-Backbone interact. energy: 4.376
local terms energy: -288.160371
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -81.046
flat angles C4'-P-C4' energy: -68.570
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1631.126407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.126407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.126407 (E_RNA)
where:
Base-Base interactions energy: -1116.660
where: short stacking energy: -516.484
Base-Backbone interact. energy: -0.688
local terms energy: -513.778484
where:
bonds (distance) C4'-P energy: -88.079
bonds (distance) P-C4' energy: -92.305
flat angles C4'-P-C4' energy: -109.266
flat angles P-C4'-P energy: -69.687
tors. eta vs tors. theta energy: -154.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1576.919121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.919121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.919121 (E_RNA)
where:
Base-Base interactions energy: -1085.349
where: short stacking energy: -477.144
Base-Backbone interact. energy: -2.944
local terms energy: -488.625773
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -80.224
flat angles C4'-P-C4' energy: -107.467
flat angles P-C4'-P energy: -80.902
tors. eta vs tors. theta energy: -132.866
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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1511.641779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.641779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.641779 (E_RNA)
where:
Base-Base interactions energy: -1046.064
where: short stacking energy: -446.915
Base-Backbone interact. energy: -1.367
local terms energy: -464.211071
where:
bonds (distance) C4'-P energy: -82.326
bonds (distance) P-C4' energy: -90.391
flat angles C4'-P-C4' energy: -97.678
flat angles P-C4'-P energy: -67.453
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: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1371.776734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.776734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.776734 (E_RNA)
where:
Base-Base interactions energy: -919.534
where: short stacking energy: -415.728
Base-Backbone interact. energy: -1.651
local terms energy: -450.592644
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -87.656
flat angles C4'-P-C4' energy: -99.173
flat angles P-C4'-P energy: -61.867
tors. eta vs tors. theta energy: -109.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1236.352401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.352401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.352401 (E_RNA)
where:
Base-Base interactions energy: -826.989
where: short stacking energy: -382.143
Base-Backbone interact. energy: -2.183
local terms energy: -407.179690
where:
bonds (distance) C4'-P energy: -82.862
bonds (distance) P-C4' energy: -82.422
flat angles C4'-P-C4' energy: -80.856
flat angles P-C4'-P energy: -67.641
tors. eta vs tors. theta energy: -93.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1178.814507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.814507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.814507 (E_RNA)
where:
Base-Base interactions energy: -780.349
where: short stacking energy: -340.993
Base-Backbone interact. energy: -1.572
local terms energy: -396.893394
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -87.090
flat angles C4'-P-C4' energy: -87.691
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -84.288
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1103.656375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.656375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.656375 (E_RNA)
where:
Base-Base interactions energy: -739.799
where: short stacking energy: -328.141
Base-Backbone interact. energy: 0.962
local terms energy: -364.818730
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -66.017
flat angles C4'-P-C4' energy: -81.164
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -87.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -942.395413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.395413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.395413 (E_RNA)
where:
Base-Base interactions energy: -597.553
where: short stacking energy: -269.504
Base-Backbone interact. energy: -3.973
local terms energy: -340.869985
where:
bonds (distance) C4'-P energy: -65.660
bonds (distance) P-C4' energy: -74.724
flat angles C4'-P-C4' energy: -84.756
flat angles P-C4'-P energy: -56.003
tors. eta vs tors. theta energy: -59.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -651.481045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.481045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.481045 (E_RNA)
where:
Base-Base interactions energy: -363.369
where: short stacking energy: -194.609
Base-Backbone interact. energy: 0.154
local terms energy: -288.265797
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -68.574
flat angles C4'-P-C4' energy: -79.589
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -21.106
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: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -566.866881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.866881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.866881 (E_RNA)
where:
Base-Base interactions energy: -318.885
where: short stacking energy: -156.948
Base-Backbone interact. energy: -1.790
local terms energy: -246.191441
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -76.436
flat angles C4'-P-C4' energy: -67.237
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: 7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1608.083815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.083815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.083815 (E_RNA)
where:
Base-Base interactions energy: -1095.420
where: short stacking energy: -476.904
Base-Backbone interact. energy: -0.999
local terms energy: -511.664406
where:
bonds (distance) C4'-P energy: -96.488
bonds (distance) P-C4' energy: -97.606
flat angles C4'-P-C4' energy: -98.526
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -141.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1578.403974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.403974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.403974 (E_RNA)
where:
Base-Base interactions energy: -1094.889
where: short stacking energy: -487.449
Base-Backbone interact. energy: 1.624
local terms energy: -485.139423
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -92.400
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -70.195
tors. eta vs tors. theta energy: -135.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1521.831512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.831512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.831512 (E_RNA)
where:
Base-Base interactions energy: -1051.563
where: short stacking energy: -466.449
Base-Backbone interact. energy: -0.280
local terms energy: -469.987664
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -90.474
flat angles C4'-P-C4' energy: -99.136
flat angles P-C4'-P energy: -68.087
tors. eta vs tors. theta energy: -120.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1362.358065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.358065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.358065 (E_RNA)
where:
Base-Base interactions energy: -925.603
where: short stacking energy: -423.184
Base-Backbone interact. energy: -3.033
local terms energy: -433.722061
where:
bonds (distance) C4'-P energy: -85.070
bonds (distance) P-C4' energy: -85.176
flat angles C4'-P-C4' energy: -88.301
flat angles P-C4'-P energy: -61.329
tors. eta vs tors. theta energy: -113.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1217.073490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.073490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.073490 (E_RNA)
where:
Base-Base interactions energy: -792.676
where: short stacking energy: -394.824
Base-Backbone interact. energy: 3.585
local terms energy: -427.982722
where:
bonds (distance) C4'-P energy: -76.554
bonds (distance) P-C4' energy: -88.822
flat angles C4'-P-C4' energy: -86.322
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -117.137
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: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1169.147722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.147722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.147722 (E_RNA)
where:
Base-Base interactions energy: -789.118
where: short stacking energy: -377.924
Base-Backbone interact. energy: -2.952
local terms energy: -377.077830
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -68.524
flat angles C4'-P-C4' energy: -90.531
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -85.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1092.585353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.585353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.585353 (E_RNA)
where:
Base-Base interactions energy: -720.670
where: short stacking energy: -335.469
Base-Backbone interact. energy: 0.640
local terms energy: -372.555827
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -84.687
flat angles C4'-P-C4' energy: -74.918
flat angles P-C4'-P energy: -61.087
tors. eta vs tors. theta energy: -75.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -920.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.488953 (E_RNA)
where:
Base-Base interactions energy: -618.628
where: short stacking energy: -271.510
Base-Backbone interact. energy: -2.062
local terms energy: -299.798846
where:
bonds (distance) C4'-P energy: -72.287
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -79.314
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -39.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -680.876144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.876144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.876144 (E_RNA)
where:
Base-Base interactions energy: -391.832
where: short stacking energy: -188.755
Base-Backbone interact. energy: 0.517
local terms energy: -289.561210
where:
bonds (distance) C4'-P energy: -69.786
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -79.213
flat angles P-C4'-P energy: -58.067
tors. eta vs tors. theta energy: -23.070
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -612.235335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.235335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.235335 (E_RNA)
where:
Base-Base interactions energy: -323.006
where: short stacking energy: -190.834
Base-Backbone interact. energy: -0.104
local terms energy: -289.125460
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -80.360
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -16.206
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: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1621.279360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.279360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.279360 (E_RNA)
where:
Base-Base interactions energy: -1130.734
where: short stacking energy: -495.037
Base-Backbone interact. energy: -3.226
local terms energy: -487.319085
where:
bonds (distance) C4'-P energy: -86.991
bonds (distance) P-C4' energy: -89.240
flat angles C4'-P-C4' energy: -104.194
flat angles P-C4'-P energy: -65.011
tors. eta vs tors. theta energy: -141.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1559.593264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.593264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.593264 (E_RNA)
where:
Base-Base interactions energy: -1074.835
where: short stacking energy: -477.225
Base-Backbone interact. energy: -3.468
local terms energy: -481.290357
where:
bonds (distance) C4'-P energy: -85.635
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -99.829
flat angles P-C4'-P energy: -60.070
tors. eta vs tors. theta energy: -142.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1504.352166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.352166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.352166 (E_RNA)
where:
Base-Base interactions energy: -1057.501
where: short stacking energy: -430.462
Base-Backbone interact. energy: -1.752
local terms energy: -445.099299
where:
bonds (distance) C4'-P energy: -78.553
bonds (distance) P-C4' energy: -89.133
flat angles C4'-P-C4' energy: -86.802
flat angles P-C4'-P energy: -71.906
tors. eta vs tors. theta energy: -118.706
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1401.951228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.951228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.951228 (E_RNA)
where:
Base-Base interactions energy: -963.578
where: short stacking energy: -438.844
Base-Backbone interact. energy: 0.731
local terms energy: -439.103647
where:
bonds (distance) C4'-P energy: -88.726
bonds (distance) P-C4' energy: -83.192
flat angles C4'-P-C4' energy: -95.440
flat angles P-C4'-P energy: -55.975
tors. eta vs tors. theta energy: -115.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1211.638447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.638447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.638447 (E_RNA)
where:
Base-Base interactions energy: -800.092
where: short stacking energy: -396.502
Base-Backbone interact. energy: -0.605
local terms energy: -410.941691
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -92.104
flat angles C4'-P-C4' energy: -90.114
flat angles P-C4'-P energy: -60.178
tors. eta vs tors. theta energy: -108.155
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: 113
Temperature: 1.150000
Total energy: -1130.592835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.592835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.592835 (E_RNA)
where:
Base-Base interactions energy: -752.806
where: short stacking energy: -314.916
Base-Backbone interact. energy: -4.812
local terms energy: -372.974764
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -73.488
flat angles C4'-P-C4' energy: -87.551
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -74.260
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: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1090.874993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.874993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.874993 (E_RNA)
where:
Base-Base interactions energy: -755.809
where: short stacking energy: -343.852
Base-Backbone interact. energy: -0.040
local terms energy: -335.025075
where:
bonds (distance) C4'-P energy: -67.917
bonds (distance) P-C4' energy: -71.016
flat angles C4'-P-C4' energy: -86.943
flat angles P-C4'-P energy: -37.200
tors. eta vs tors. theta energy: -71.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -862.710920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.710920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.710920 (E_RNA)
where:
Base-Base interactions energy: -547.027
where: short stacking energy: -258.868
Base-Backbone interact. energy: -1.365
local terms energy: -314.319156
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -75.230
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -52.353
tors. eta vs tors. theta energy: -46.431
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: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -684.292201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.292201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.292201 (E_RNA)
where:
Base-Base interactions energy: -416.479
where: short stacking energy: -215.708
Base-Backbone interact. energy: 0.665
local terms energy: -268.479116
where:
bonds (distance) C4'-P energy: -75.840
bonds (distance) P-C4' energy: -73.041
flat angles C4'-P-C4' energy: -62.565
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -587.062137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.062137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.062137 (E_RNA)
where:
Base-Base interactions energy: -306.620
where: short stacking energy: -159.936
Base-Backbone interact. energy: -2.082
local terms energy: -278.360241
where:
bonds (distance) C4'-P energy: -79.750
bonds (distance) P-C4' energy: -85.557
flat angles C4'-P-C4' energy: -57.164
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1639.191734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.191734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.191734 (E_RNA)
where:
Base-Base interactions energy: -1129.422
where: short stacking energy: -506.045
Base-Backbone interact. energy: -2.605
local terms energy: -507.164110
where:
bonds (distance) C4'-P energy: -94.605
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -107.446
flat angles P-C4'-P energy: -72.132
tors. eta vs tors. theta energy: -143.515
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1559.512724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.512724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.512724 (E_RNA)
where:
Base-Base interactions energy: -1052.437
where: short stacking energy: -464.390
Base-Backbone interact. energy: -3.745
local terms energy: -503.330736
where:
bonds (distance) C4'-P energy: -90.291
bonds (distance) P-C4' energy: -98.658
flat angles C4'-P-C4' energy: -101.531
flat angles P-C4'-P energy: -79.242
tors. eta vs tors. theta energy: -133.610
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: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1478.069013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.069013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.069013 (E_RNA)
where:
Base-Base interactions energy: -1027.082
where: short stacking energy: -430.323
Base-Backbone interact. energy: -3.192
local terms energy: -447.794674
where:
bonds (distance) C4'-P energy: -88.326
bonds (distance) P-C4' energy: -86.013
flat angles C4'-P-C4' energy: -94.905
flat angles P-C4'-P energy: -60.956
tors. eta vs tors. theta energy: -117.595
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: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1404.918571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.918571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.918571 (E_RNA)
where:
Base-Base interactions energy: -964.904
where: short stacking energy: -439.704
Base-Backbone interact. energy: -1.371
local terms energy: -438.643630
where:
bonds (distance) C4'-P energy: -80.145
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -92.782
flat angles P-C4'-P energy: -66.109
tors. eta vs tors. theta energy: -125.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1213.204345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.204345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.204345 (E_RNA)
where:
Base-Base interactions energy: -821.403
where: short stacking energy: -379.203
Base-Backbone interact. energy: -1.613
local terms energy: -390.188210
where:
bonds (distance) C4'-P energy: -69.462
bonds (distance) P-C4' energy: -75.932
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -48.521
tors. eta vs tors. theta energy: -99.585
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: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1165.709916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.709916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.709916 (E_RNA)
where:
Base-Base interactions energy: -799.377
where: short stacking energy: -366.086
Base-Backbone interact. energy: 0.709
local terms energy: -367.041563
where:
bonds (distance) C4'-P energy: -85.250
bonds (distance) P-C4' energy: -59.430
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -56.425
tors. eta vs tors. theta energy: -84.963
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: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1105.150549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.150549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.150549 (E_RNA)
where:
Base-Base interactions energy: -715.175
where: short stacking energy: -299.017
Base-Backbone interact. energy: -2.118
local terms energy: -387.857173
where:
bonds (distance) C4'-P energy: -70.332
bonds (distance) P-C4' energy: -93.779
flat angles C4'-P-C4' energy: -89.164
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -82.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -877.352423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.352423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.352423 (E_RNA)
where:
Base-Base interactions energy: -556.711
where: short stacking energy: -263.262
Base-Backbone interact. energy: -0.916
local terms energy: -319.725233
where:
bonds (distance) C4'-P energy: -65.673
bonds (distance) P-C4' energy: -70.180
flat angles C4'-P-C4' energy: -91.497
flat angles P-C4'-P energy: -45.407
tors. eta vs tors. theta energy: -46.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -619.466923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.466923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.466923 (E_RNA)
where:
Base-Base interactions energy: -354.533
where: short stacking energy: -173.081
Base-Backbone interact. energy: 1.608
local terms energy: -266.541883
where:
bonds (distance) C4'-P energy: -81.579
bonds (distance) P-C4' energy: -75.209
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -6.375
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: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -578.947015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.947015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.947015 (E_RNA)
where:
Base-Base interactions energy: -308.517
where: short stacking energy: -185.813
Base-Backbone interact. energy: 1.088
local terms energy: -271.518289
where:
bonds (distance) C4'-P energy: -61.039
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -75.776
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -15.107
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: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1617.729099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.729099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.729099 (E_RNA)
where:
Base-Base interactions energy: -1133.637
where: short stacking energy: -498.065
Base-Backbone interact. energy: 0.313
local terms energy: -484.405163
where:
bonds (distance) C4'-P energy: -81.727
bonds (distance) P-C4' energy: -89.862
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -137.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1531.509934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.509934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.509934 (E_RNA)
where:
Base-Base interactions energy: -1062.001
where: short stacking energy: -482.951
Base-Backbone interact. energy: 5.772
local terms energy: -475.280188
where:
bonds (distance) C4'-P energy: -94.252
bonds (distance) P-C4' energy: -92.232
flat angles C4'-P-C4' energy: -105.316
flat angles P-C4'-P energy: -55.967
tors. eta vs tors. theta energy: -127.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1525.229610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.229610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.229610 (E_RNA)
where:
Base-Base interactions energy: -1056.034
where: short stacking energy: -437.392
Base-Backbone interact. energy: -5.101
local terms energy: -464.094361
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -94.055
flat angles C4'-P-C4' energy: -110.628
flat angles P-C4'-P energy: -61.119
tors. eta vs tors. theta energy: -109.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1389.465705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.465705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.465705 (E_RNA)
where:
Base-Base interactions energy: -932.077
where: short stacking energy: -411.082
Base-Backbone interact. energy: -1.257
local terms energy: -456.131782
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -84.980
flat angles C4'-P-C4' energy: -93.687
flat angles P-C4'-P energy: -68.731
tors. eta vs tors. theta energy: -116.293
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: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1255.358406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.358406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.358406 (E_RNA)
where:
Base-Base interactions energy: -830.129
where: short stacking energy: -394.705
Base-Backbone interact. energy: 1.489
local terms energy: -426.718715
where:
bonds (distance) C4'-P energy: -78.831
bonds (distance) P-C4' energy: -83.206
flat angles C4'-P-C4' energy: -93.494
flat angles P-C4'-P energy: -67.791
tors. eta vs tors. theta energy: -103.397
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1233.763693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.763693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.763693 (E_RNA)
where:
Base-Base interactions energy: -841.854
where: short stacking energy: -365.222
Base-Backbone interact. energy: -1.059
local terms energy: -390.850775
where:
bonds (distance) C4'-P energy: -82.428
bonds (distance) P-C4' energy: -74.286
flat angles C4'-P-C4' energy: -88.249
flat angles P-C4'-P energy: -44.411
tors. eta vs tors. theta energy: -101.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1094.766341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.766341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.766341 (E_RNA)
where:
Base-Base interactions energy: -730.383
where: short stacking energy: -296.770
Base-Backbone interact. energy: -2.327
local terms energy: -362.056491
where:
bonds (distance) C4'-P energy: -82.094
bonds (distance) P-C4' energy: -64.074
flat angles C4'-P-C4' energy: -85.185
flat angles P-C4'-P energy: -64.338
tors. eta vs tors. theta energy: -66.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -887.516649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.516649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.516649 (E_RNA)
where:
Base-Base interactions energy: -587.809
where: short stacking energy: -272.605
Base-Backbone interact. energy: 2.305
local terms energy: -302.012623
where:
bonds (distance) C4'-P energy: -77.129
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -40.834
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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -676.969126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.969126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.969126 (E_RNA)
where:
Base-Base interactions energy: -395.158
where: short stacking energy: -187.644
Base-Backbone interact. energy: -0.743
local terms energy: -281.068729
where:
bonds (distance) C4'-P energy: -66.108
bonds (distance) P-C4' energy: -73.469
flat angles C4'-P-C4' energy: -73.983
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -18.435
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: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -541.439845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.439845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.439845 (E_RNA)
where:
Base-Base interactions energy: -279.220
where: short stacking energy: -162.080
Base-Backbone interact. energy: -1.895
local terms energy: -260.325312
where:
bonds (distance) C4'-P energy: -67.219
bonds (distance) P-C4' energy: -88.102
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -35.714
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1645.664570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.664570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.664570 (E_RNA)
where:
Base-Base interactions energy: -1120.883
where: short stacking energy: -487.340
Base-Backbone interact. energy: -1.715
local terms energy: -523.066678
where:
bonds (distance) C4'-P energy: -96.844
bonds (distance) P-C4' energy: -105.202
flat angles C4'-P-C4' energy: -107.378
flat angles P-C4'-P energy: -69.520
tors. eta vs tors. theta energy: -144.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1541.923044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.923044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.923044 (E_RNA)
where:
Base-Base interactions energy: -1070.645
where: short stacking energy: -474.224
Base-Backbone interact. energy: -4.301
local terms energy: -466.976572
where:
bonds (distance) C4'-P energy: -79.077
bonds (distance) P-C4' energy: -89.348
flat angles C4'-P-C4' energy: -100.677
flat angles P-C4'-P energy: -69.130
tors. eta vs tors. theta energy: -128.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1504.366855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.366855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.366855 (E_RNA)
where:
Base-Base interactions energy: -1050.413
where: short stacking energy: -455.228
Base-Backbone interact. energy: -1.715
local terms energy: -452.238398
where:
bonds (distance) C4'-P energy: -94.738
bonds (distance) P-C4' energy: -86.413
flat angles C4'-P-C4' energy: -93.711
flat angles P-C4'-P energy: -61.203
tors. eta vs tors. theta energy: -116.174
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1373.177599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.177599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.177599 (E_RNA)
where:
Base-Base interactions energy: -945.351
where: short stacking energy: -423.897
Base-Backbone interact. energy: -2.975
local terms energy: -424.850996
where:
bonds (distance) C4'-P energy: -73.865
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -95.826
flat angles P-C4'-P energy: -58.792
tors. eta vs tors. theta energy: -109.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1253.880621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.880621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.880621 (E_RNA)
where:
Base-Base interactions energy: -846.307
where: short stacking energy: -369.696
Base-Backbone interact. energy: -2.957
local terms energy: -404.617421
where:
bonds (distance) C4'-P energy: -87.452
bonds (distance) P-C4' energy: -64.335
flat angles C4'-P-C4' energy: -96.467
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -95.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1173.618866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.618866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.618866 (E_RNA)
where:
Base-Base interactions energy: -785.737
where: short stacking energy: -386.652
Base-Backbone interact. energy: -0.549
local terms energy: -387.332674
where:
bonds (distance) C4'-P energy: -65.351
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -101.360
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -98.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1096.846509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.846509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.846509 (E_RNA)
where:
Base-Base interactions energy: -725.924
where: short stacking energy: -299.289
Base-Backbone interact. energy: -3.027
local terms energy: -367.895768
where:
bonds (distance) C4'-P energy: -79.918
bonds (distance) P-C4' energy: -85.705
flat angles C4'-P-C4' energy: -85.368
flat angles P-C4'-P energy: -53.941
tors. eta vs tors. theta energy: -62.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -927.176919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.176919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.176919 (E_RNA)
where:
Base-Base interactions energy: -593.687
where: short stacking energy: -277.397
Base-Backbone interact. energy: -2.070
local terms energy: -331.419908
where:
bonds (distance) C4'-P energy: -61.435
bonds (distance) P-C4' energy: -83.667
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -61.150
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: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -737.920073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.920073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.920073 (E_RNA)
where:
Base-Base interactions energy: -430.536
where: short stacking energy: -209.364
Base-Backbone interact. energy: -2.520
local terms energy: -304.863431
where:
bonds (distance) C4'-P energy: -82.924
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -73.789
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -28.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -571.514901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.514901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.514901 (E_RNA)
where:
Base-Base interactions energy: -301.316
where: short stacking energy: -165.726
Base-Backbone interact. energy: -1.173
local terms energy: -269.025468
where:
bonds (distance) C4'-P energy: -74.470
bonds (distance) P-C4' energy: -93.638
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -44.903
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1627.692757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.692757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.692757 (E_RNA)
where:
Base-Base interactions energy: -1137.369
where: short stacking energy: -496.435
Base-Backbone interact. energy: -1.765
local terms energy: -488.558860
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -84.135
flat angles C4'-P-C4' energy: -98.375
flat angles P-C4'-P energy: -75.103
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: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1572.363322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.363322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.363322 (E_RNA)
where:
Base-Base interactions energy: -1110.403
where: short stacking energy: -480.411
Base-Backbone interact. energy: -3.459
local terms energy: -458.501370
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -84.341
flat angles C4'-P-C4' energy: -95.973
flat angles P-C4'-P energy: -64.752
tors. eta vs tors. theta energy: -125.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1495.953177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.953177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.953177 (E_RNA)
where:
Base-Base interactions energy: -1023.077
where: short stacking energy: -453.631
Base-Backbone interact. energy: 0.284
local terms energy: -473.160156
where:
bonds (distance) C4'-P energy: -93.033
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -98.529
flat angles P-C4'-P energy: -57.448
tors. eta vs tors. theta energy: -126.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1380.789107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.789107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.789107 (E_RNA)
where:
Base-Base interactions energy: -946.344
where: short stacking energy: -430.543
Base-Backbone interact. energy: -3.768
local terms energy: -430.677672
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -86.272
flat angles C4'-P-C4' energy: -95.216
flat angles P-C4'-P energy: -55.879
tors. eta vs tors. theta energy: -116.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1159.675623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.675623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.675623 (E_RNA)
where:
Base-Base interactions energy: -801.563
where: short stacking energy: -335.147
Base-Backbone interact. energy: -2.156
local terms energy: -355.956632
where:
bonds (distance) C4'-P energy: -65.988
bonds (distance) P-C4' energy: -69.748
flat angles C4'-P-C4' energy: -88.449
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: -81.033
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1193.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.086383 (E_RNA)
where:
Base-Base interactions energy: -812.631
where: short stacking energy: -365.188
Base-Backbone interact. energy: -0.593
local terms energy: -379.861577
where:
bonds (distance) C4'-P energy: -66.211
bonds (distance) P-C4' energy: -77.785
flat angles C4'-P-C4' energy: -82.706
flat angles P-C4'-P energy: -42.871
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: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1111.277749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.277749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.277749 (E_RNA)
where:
Base-Base interactions energy: -747.037
where: short stacking energy: -291.951
Base-Backbone interact. energy: -0.097
local terms energy: -364.143957
where:
bonds (distance) C4'-P energy: -73.755
bonds (distance) P-C4' energy: -82.051
flat angles C4'-P-C4' energy: -89.396
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -62.614
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: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -997.591230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.591230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.591230 (E_RNA)
where:
Base-Base interactions energy: -663.245
where: short stacking energy: -295.369
Base-Backbone interact. energy: -4.070
local terms energy: -330.276312
where:
bonds (distance) C4'-P energy: -86.368
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -90.240
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -716.789085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.789085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.789085 (E_RNA)
where:
Base-Base interactions energy: -412.754
where: short stacking energy: -213.013
Base-Backbone interact. energy: 1.871
local terms energy: -305.906721
where:
bonds (distance) C4'-P energy: -76.228
bonds (distance) P-C4' energy: -81.510
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -571.956472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.956472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.956472 (E_RNA)
where:
Base-Base interactions energy: -299.276
where: short stacking energy: -191.066
Base-Backbone interact. energy: 2.913
local terms energy: -275.593538
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1642.657430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.657430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.657430 (E_RNA)
where:
Base-Base interactions energy: -1128.395
where: short stacking energy: -536.342
Base-Backbone interact. energy: -0.780
local terms energy: -513.482010
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -84.727
flat angles C4'-P-C4' energy: -112.391
flat angles P-C4'-P energy: -82.706
tors. eta vs tors. theta energy: -144.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1583.868268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.868268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.868268 (E_RNA)
where:
Base-Base interactions energy: -1108.760
where: short stacking energy: -458.386
Base-Backbone interact. energy: -3.154
local terms energy: -471.955146
where:
bonds (distance) C4'-P energy: -96.260
bonds (distance) P-C4' energy: -83.897
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -66.071
tors. eta vs tors. theta energy: -126.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1468.720147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.720147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.720147 (E_RNA)
where:
Base-Base interactions energy: -993.437
where: short stacking energy: -437.556
Base-Backbone interact. energy: -1.364
local terms energy: -473.919518
where:
bonds (distance) C4'-P energy: -86.517
bonds (distance) P-C4' energy: -98.650
flat angles C4'-P-C4' energy: -101.783
flat angles P-C4'-P energy: -59.104
tors. eta vs tors. theta energy: -127.866
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: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1432.717256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.717256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.717256 (E_RNA)
where:
Base-Base interactions energy: -978.417
where: short stacking energy: -441.663
Base-Backbone interact. energy: 0.258
local terms energy: -454.557836
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -106.799
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -108.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1263.561843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.561843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.561843 (E_RNA)
where:
Base-Base interactions energy: -834.932
where: short stacking energy: -393.602
Base-Backbone interact. energy: -1.723
local terms energy: -426.906931
where:
bonds (distance) C4'-P energy: -83.394
bonds (distance) P-C4' energy: -78.896
flat angles C4'-P-C4' energy: -97.331
flat angles P-C4'-P energy: -65.089
tors. eta vs tors. theta energy: -102.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1143.473574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.473574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.473574 (E_RNA)
where:
Base-Base interactions energy: -754.460
where: short stacking energy: -338.744
Base-Backbone interact. energy: -0.281
local terms energy: -388.732094
where:
bonds (distance) C4'-P energy: -76.277
bonds (distance) P-C4' energy: -92.248
flat angles C4'-P-C4' energy: -80.635
flat angles P-C4'-P energy: -61.006
tors. eta vs tors. theta energy: -78.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -979.597532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.597532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.597532 (E_RNA)
where:
Base-Base interactions energy: -654.359
where: short stacking energy: -293.969
Base-Backbone interact. energy: 2.418
local terms energy: -327.656016
where:
bonds (distance) C4'-P energy: -65.753
bonds (distance) P-C4' energy: -77.215
flat angles C4'-P-C4' energy: -80.618
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -49.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -983.784190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.784190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.784190 (E_RNA)
where:
Base-Base interactions energy: -644.699
where: short stacking energy: -263.497
Base-Backbone interact. energy: 2.861
local terms energy: -341.946281
where:
bonds (distance) C4'-P energy: -80.058
bonds (distance) P-C4' energy: -90.060
flat angles C4'-P-C4' energy: -78.166
flat angles P-C4'-P energy: -52.860
tors. eta vs tors. theta energy: -40.802
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: 118
Temperature: 1.300000
Total energy: -702.677848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.677848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.677848 (E_RNA)
where:
Base-Base interactions energy: -420.397
where: short stacking energy: -224.765
Base-Backbone interact. energy: -0.367
local terms energy: -281.913053
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -74.493
flat angles C4'-P-C4' energy: -58.707
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -38.456
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -588.516744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.516744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.516744 (E_RNA)
where:
Base-Base interactions energy: -336.355
where: short stacking energy: -182.923
Base-Backbone interact. energy: -1.529
local terms energy: -250.632752
where:
bonds (distance) C4'-P energy: -76.477
bonds (distance) P-C4' energy: -74.688
flat angles C4'-P-C4' energy: -65.486
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1628.598654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.598654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.598654 (E_RNA)
where:
Base-Base interactions energy: -1143.491
where: short stacking energy: -521.236
Base-Backbone interact. energy: -1.258
local terms energy: -483.850076
where:
bonds (distance) C4'-P energy: -80.053
bonds (distance) P-C4' energy: -87.493
flat angles C4'-P-C4' energy: -98.693
flat angles P-C4'-P energy: -69.274
tors. eta vs tors. theta energy: -148.337
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: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1566.648435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.648435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.648435 (E_RNA)
where:
Base-Base interactions energy: -1115.709
where: short stacking energy: -455.239
Base-Backbone interact. energy: -3.171
local terms energy: -447.768598
where:
bonds (distance) C4'-P energy: -70.741
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -100.532
flat angles P-C4'-P energy: -61.750
tors. eta vs tors. theta energy: -125.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1490.027875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.027875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.027875 (E_RNA)
where:
Base-Base interactions energy: -1026.485
where: short stacking energy: -460.146
Base-Backbone interact. energy: -1.531
local terms energy: -462.011558
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -83.704
flat angles C4'-P-C4' energy: -102.667
flat angles P-C4'-P energy: -61.844
tors. eta vs tors. theta energy: -124.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1295.530934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.530934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.530934 (E_RNA)
where:
Base-Base interactions energy: -857.964
where: short stacking energy: -393.965
Base-Backbone interact. energy: -3.491
local terms energy: -434.075713
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -89.893
flat angles C4'-P-C4' energy: -90.003
flat angles P-C4'-P energy: -59.088
tors. eta vs tors. theta energy: -110.316
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: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1313.124749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.124749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.124749 (E_RNA)
where:
Base-Base interactions energy: -877.656
where: short stacking energy: -401.341
Base-Backbone interact. energy: -1.780
local terms energy: -433.688431
where:
bonds (distance) C4'-P energy: -87.364
bonds (distance) P-C4' energy: -84.796
flat angles C4'-P-C4' energy: -92.322
flat angles P-C4'-P energy: -70.763
tors. eta vs tors. theta energy: -98.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1162.934925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.934925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.934925 (E_RNA)
where:
Base-Base interactions energy: -765.895
where: short stacking energy: -351.292
Base-Backbone interact. energy: -0.446
local terms energy: -396.593854
where:
bonds (distance) C4'-P energy: -81.123
bonds (distance) P-C4' energy: -79.132
flat angles C4'-P-C4' energy: -97.015
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -90.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1024.663408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.663408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.663408 (E_RNA)
where:
Base-Base interactions energy: -686.363
where: short stacking energy: -314.566
Base-Backbone interact. energy: -2.074
local terms energy: -336.226851
where:
bonds (distance) C4'-P energy: -77.397
bonds (distance) P-C4' energy: -70.416
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -55.999
tors. eta vs tors. theta energy: -63.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1011.937918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.937918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.937918 (E_RNA)
where:
Base-Base interactions energy: -675.795
where: short stacking energy: -315.987
Base-Backbone interact. energy: -1.606
local terms energy: -334.536686
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -65.976
flat angles C4'-P-C4' energy: -91.487
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -59.928
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: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -657.400357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.400357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.400357 (E_RNA)
where:
Base-Base interactions energy: -386.934
where: short stacking energy: -189.058
Base-Backbone interact. energy: -1.611
local terms energy: -268.855410
where:
bonds (distance) C4'-P energy: -70.713
bonds (distance) P-C4' energy: -74.990
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -13.120
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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -615.189021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.189021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.189021 (E_RNA)
where:
Base-Base interactions energy: -364.428
where: short stacking energy: -166.432
Base-Backbone interact. energy: -1.930
local terms energy: -248.831230
where:
bonds (distance) C4'-P energy: -59.719
bonds (distance) P-C4' energy: -68.295
flat angles C4'-P-C4' energy: -63.100
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: -19.753
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: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1631.434645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.434645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.434645 (E_RNA)
where:
Base-Base interactions energy: -1137.124
where: short stacking energy: -513.032
Base-Backbone interact. energy: -1.591
local terms energy: -492.718924
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -80.277
flat angles C4'-P-C4' energy: -105.304
flat angles P-C4'-P energy: -69.255
tors. eta vs tors. theta energy: -145.726
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: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1564.018393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.018393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.018393 (E_RNA)
where:
Base-Base interactions energy: -1088.187
where: short stacking energy: -453.337
Base-Backbone interact. energy: -1.282
local terms energy: -474.549882
where:
bonds (distance) C4'-P energy: -84.031
bonds (distance) P-C4' energy: -93.966
flat angles C4'-P-C4' energy: -104.164
flat angles P-C4'-P energy: -71.474
tors. eta vs tors. theta energy: -120.914
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: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1469.365923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.365923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.365923 (E_RNA)
where:
Base-Base interactions energy: -1002.830
where: short stacking energy: -434.869
Base-Backbone interact. energy: -1.578
local terms energy: -464.958559
where:
bonds (distance) C4'-P energy: -94.727
bonds (distance) P-C4' energy: -75.384
flat angles C4'-P-C4' energy: -103.964
flat angles P-C4'-P energy: -69.691
tors. eta vs tors. theta energy: -121.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1279.398126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.398126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.398126 (E_RNA)
where:
Base-Base interactions energy: -856.892
where: short stacking energy: -379.773
Base-Backbone interact. energy: -0.738
local terms energy: -421.768869
where:
bonds (distance) C4'-P energy: -90.376
bonds (distance) P-C4' energy: -96.923
flat angles C4'-P-C4' energy: -79.323
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -106.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1285.074712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.074712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.074712 (E_RNA)
where:
Base-Base interactions energy: -885.126
where: short stacking energy: -398.337
Base-Backbone interact. energy: -1.738
local terms energy: -398.211182
where:
bonds (distance) C4'-P energy: -67.497
bonds (distance) P-C4' energy: -81.227
flat angles C4'-P-C4' energy: -100.220
flat angles P-C4'-P energy: -52.408
tors. eta vs tors. theta energy: -96.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1172.678755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.678755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.678755 (E_RNA)
where:
Base-Base interactions energy: -799.754
where: short stacking energy: -346.667
Base-Backbone interact. energy: -2.407
local terms energy: -370.516885
where:
bonds (distance) C4'-P energy: -77.051
bonds (distance) P-C4' energy: -82.736
flat angles C4'-P-C4' energy: -81.046
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -81.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -976.695835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.695835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.695835 (E_RNA)
where:
Base-Base interactions energy: -636.240
where: short stacking energy: -277.400
Base-Backbone interact. energy: -2.727
local terms energy: -337.728374
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -81.312
flat angles C4'-P-C4' energy: -77.919
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -56.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1011.358302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.358302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.358302 (E_RNA)
where:
Base-Base interactions energy: -688.398
where: short stacking energy: -315.322
Base-Backbone interact. energy: -1.848
local terms energy: -321.112017
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -75.739
flat angles C4'-P-C4' energy: -82.177
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -61.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -715.808679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.808679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.808679 (E_RNA)
where:
Base-Base interactions energy: -428.302
where: short stacking energy: -197.357
Base-Backbone interact. energy: -1.312
local terms energy: -286.194246
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -78.763
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -568.112394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.112394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.112394 (E_RNA)
where:
Base-Base interactions energy: -291.211
where: short stacking energy: -164.613
Base-Backbone interact. energy: -1.091
local terms energy: -275.809925
where:
bonds (distance) C4'-P energy: -68.785
bonds (distance) P-C4' energy: -79.653
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1631.490210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.490210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.490210 (E_RNA)
where:
Base-Base interactions energy: -1130.969
where: short stacking energy: -499.364
Base-Backbone interact. energy: -1.171
local terms energy: -499.350178
where:
bonds (distance) C4'-P energy: -96.546
bonds (distance) P-C4' energy: -86.391
flat angles C4'-P-C4' energy: -96.561
flat angles P-C4'-P energy: -70.012
tors. eta vs tors. theta energy: -149.840
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: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1570.309255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.309255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.309255 (E_RNA)
where:
Base-Base interactions energy: -1087.706
where: short stacking energy: -464.078
Base-Backbone interact. energy: -2.995
local terms energy: -479.608084
where:
bonds (distance) C4'-P energy: -90.474
bonds (distance) P-C4' energy: -96.881
flat angles C4'-P-C4' energy: -103.757
flat angles P-C4'-P energy: -66.473
tors. eta vs tors. theta energy: -122.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1471.716236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.716236 (E_RNA)
where:
Base-Base interactions energy: -1012.286
where: short stacking energy: -460.649
Base-Backbone interact. energy: 0.605
local terms energy: -460.035289
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -97.145
flat angles C4'-P-C4' energy: -92.747
flat angles P-C4'-P energy: -67.251
tors. eta vs tors. theta energy: -124.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1368.610830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.610830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.610830 (E_RNA)
where:
Base-Base interactions energy: -928.886
where: short stacking energy: -401.618
Base-Backbone interact. energy: -1.337
local terms energy: -438.388570
where:
bonds (distance) C4'-P energy: -87.406
bonds (distance) P-C4' energy: -82.118
flat angles C4'-P-C4' energy: -96.683
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -111.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1237.902250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.902250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.902250 (E_RNA)
where:
Base-Base interactions energy: -807.062
where: short stacking energy: -389.861
Base-Backbone interact. energy: 0.002
local terms energy: -430.841927
where:
bonds (distance) C4'-P energy: -69.487
bonds (distance) P-C4' energy: -89.295
flat angles C4'-P-C4' energy: -97.026
flat angles P-C4'-P energy: -65.964
tors. eta vs tors. theta energy: -109.070
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: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1192.432095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.432095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.432095 (E_RNA)
where:
Base-Base interactions energy: -808.628
where: short stacking energy: -364.786
Base-Backbone interact. energy: 1.269
local terms energy: -385.073159
where:
bonds (distance) C4'-P energy: -64.271
bonds (distance) P-C4' energy: -83.318
flat angles C4'-P-C4' energy: -89.730
flat angles P-C4'-P energy: -60.137
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -965.753950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.753950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.753950 (E_RNA)
where:
Base-Base interactions energy: -642.617
where: short stacking energy: -294.310
Base-Backbone interact. energy: -0.903
local terms energy: -322.233690
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -76.918
flat angles C4'-P-C4' energy: -92.288
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -52.186
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: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1001.115232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.115232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.115232 (E_RNA)
where:
Base-Base interactions energy: -649.948
where: short stacking energy: -298.894
Base-Backbone interact. energy: 0.393
local terms energy: -351.559873
where:
bonds (distance) C4'-P energy: -68.471
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -85.565
flat angles P-C4'-P energy: -58.337
tors. eta vs tors. theta energy: -72.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -715.894936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.894936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.894936 (E_RNA)
where:
Base-Base interactions energy: -421.385
where: short stacking energy: -198.506
Base-Backbone interact. energy: -1.278
local terms energy: -293.231938
where:
bonds (distance) C4'-P energy: -69.163
bonds (distance) P-C4' energy: -69.917
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -31.375
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: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -604.456326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.456326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.456326 (E_RNA)
where:
Base-Base interactions energy: -344.283
where: short stacking energy: -177.623
Base-Backbone interact. energy: -2.182
local terms energy: -257.990565
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -74.390
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1632.777089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.777089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.777089 (E_RNA)
where:
Base-Base interactions energy: -1118.026
where: short stacking energy: -493.154
Base-Backbone interact. energy: -2.345
local terms energy: -512.406765
where:
bonds (distance) C4'-P energy: -81.027
bonds (distance) P-C4' energy: -98.159
flat angles C4'-P-C4' energy: -115.688
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -146.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1590.195877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.195877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.195877 (E_RNA)
where:
Base-Base interactions energy: -1144.161
where: short stacking energy: -469.027
Base-Backbone interact. energy: -2.171
local terms energy: -443.863953
where:
bonds (distance) C4'-P energy: -76.616
bonds (distance) P-C4' energy: -78.267
flat angles C4'-P-C4' energy: -102.805
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -123.386
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: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1474.742410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.742410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.742410 (E_RNA)
where:
Base-Base interactions energy: -1013.661
where: short stacking energy: -426.660
Base-Backbone interact. energy: -0.844
local terms energy: -460.237329
where:
bonds (distance) C4'-P energy: -94.054
bonds (distance) P-C4' energy: -92.537
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -114.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1408.538928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.538928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.538928 (E_RNA)
where:
Base-Base interactions energy: -943.392
where: short stacking energy: -424.920
Base-Backbone interact. energy: -2.973
local terms energy: -462.173932
where:
bonds (distance) C4'-P energy: -91.274
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -97.410
flat angles P-C4'-P energy: -63.442
tors. eta vs tors. theta energy: -121.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1206.885475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.885475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.885475 (E_RNA)
where:
Base-Base interactions energy: -798.640
where: short stacking energy: -375.656
Base-Backbone interact. energy: -0.392
local terms energy: -407.853337
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -80.014
flat angles C4'-P-C4' energy: -81.688
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -96.925
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: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1202.374708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.374708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.374708 (E_RNA)
where:
Base-Base interactions energy: -789.375
where: short stacking energy: -368.385
Base-Backbone interact. energy: -1.847
local terms energy: -411.151914
where:
bonds (distance) C4'-P energy: -69.850
bonds (distance) P-C4' energy: -85.685
flat angles C4'-P-C4' energy: -94.773
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -101.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1026.883824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.883824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.883824 (E_RNA)
where:
Base-Base interactions energy: -679.315
where: short stacking energy: -296.877
Base-Backbone interact. energy: -1.877
local terms energy: -345.692254
where:
bonds (distance) C4'-P energy: -82.167
bonds (distance) P-C4' energy: -70.887
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -59.040
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: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -893.827960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.827960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.827960 (E_RNA)
where:
Base-Base interactions energy: -582.432
where: short stacking energy: -246.538
Base-Backbone interact. energy: 10.241
local terms energy: -321.636768
where:
bonds (distance) C4'-P energy: -82.733
bonds (distance) P-C4' energy: -76.272
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -44.636
tors. eta vs tors. theta energy: -38.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -719.212172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.212172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.212172 (E_RNA)
where:
Base-Base interactions energy: -444.332
where: short stacking energy: -201.233
Base-Backbone interact. energy: -2.774
local terms energy: -272.106292
where:
bonds (distance) C4'-P energy: -69.491
bonds (distance) P-C4' energy: -74.527
flat angles C4'-P-C4' energy: -59.452
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -590.236835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.236835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.236835 (E_RNA)
where:
Base-Base interactions energy: -327.849
where: short stacking energy: -168.436
Base-Backbone interact. energy: -2.355
local terms energy: -260.032975
where:
bonds (distance) C4'-P energy: -79.044
bonds (distance) P-C4' energy: -61.927
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -5.745
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: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1640.207256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.207256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.207256 (E_RNA)
where:
Base-Base interactions energy: -1134.180
where: short stacking energy: -503.582
Base-Backbone interact. energy: -2.071
local terms energy: -503.955726
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -94.273
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -75.883
tors. eta vs tors. theta energy: -135.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1586.060814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.060814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.060814 (E_RNA)
where:
Base-Base interactions energy: -1124.794
where: short stacking energy: -470.537
Base-Backbone interact. energy: -0.459
local terms energy: -460.807822
where:
bonds (distance) C4'-P energy: -76.499
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -62.280
tors. eta vs tors. theta energy: -128.818
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1478.409806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.409806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.409806 (E_RNA)
where:
Base-Base interactions energy: -1011.532
where: short stacking energy: -459.588
Base-Backbone interact. energy: -1.974
local terms energy: -464.903427
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -89.704
flat angles C4'-P-C4' energy: -104.948
flat angles P-C4'-P energy: -60.781
tors. eta vs tors. theta energy: -126.714
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1431.937429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.937429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.937429 (E_RNA)
where:
Base-Base interactions energy: -992.203
where: short stacking energy: -445.430
Base-Backbone interact. energy: -2.359
local terms energy: -437.375794
where:
bonds (distance) C4'-P energy: -73.109
bonds (distance) P-C4' energy: -81.891
flat angles C4'-P-C4' energy: -95.892
flat angles P-C4'-P energy: -68.971
tors. eta vs tors. theta energy: -117.513
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: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1178.863312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.863312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.863312 (E_RNA)
where:
Base-Base interactions energy: -813.971
where: short stacking energy: -366.650
Base-Backbone interact. energy: -2.620
local terms energy: -362.272742
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -74.425
flat angles C4'-P-C4' energy: -86.067
flat angles P-C4'-P energy: -45.619
tors. eta vs tors. theta energy: -88.478
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: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1200.787555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.787555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.787555 (E_RNA)
where:
Base-Base interactions energy: -802.961
where: short stacking energy: -381.290
Base-Backbone interact. energy: -0.029
local terms energy: -397.797723
where:
bonds (distance) C4'-P energy: -79.592
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -84.401
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -92.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1104.475238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.475238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.475238 (E_RNA)
where:
Base-Base interactions energy: -703.396
where: short stacking energy: -313.960
Base-Backbone interact. energy: -0.647
local terms energy: -400.431555
where:
bonds (distance) C4'-P energy: -69.393
bonds (distance) P-C4' energy: -99.781
flat angles C4'-P-C4' energy: -99.624
flat angles P-C4'-P energy: -62.796
tors. eta vs tors. theta energy: -68.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -910.345718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.345718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.345718 (E_RNA)
where:
Base-Base interactions energy: -575.647
where: short stacking energy: -279.401
Base-Backbone interact. energy: 0.017
local terms energy: -334.715584
where:
bonds (distance) C4'-P energy: -77.015
bonds (distance) P-C4' energy: -79.188
flat angles C4'-P-C4' energy: -81.227
flat angles P-C4'-P energy: -47.423
tors. eta vs tors. theta energy: -49.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -725.097024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.097024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.097024 (E_RNA)
where:
Base-Base interactions energy: -445.292
where: short stacking energy: -231.502
Base-Backbone interact. energy: 2.324
local terms energy: -282.128833
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -73.652
flat angles C4'-P-C4' energy: -77.771
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -38.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -572.240354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.240354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.240354 (E_RNA)
where:
Base-Base interactions energy: -334.696
where: short stacking energy: -149.409
Base-Backbone interact. energy: 1.627
local terms energy: -239.171375
where:
bonds (distance) C4'-P energy: -61.013
bonds (distance) P-C4' energy: -73.361
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -34.973
tors. eta vs tors. theta energy: 4.410
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: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1620.152344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.152344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.152344 (E_RNA)
where:
Base-Base interactions energy: -1121.056
where: short stacking energy: -504.271
Base-Backbone interact. energy: -2.111
local terms energy: -496.985114
where:
bonds (distance) C4'-P energy: -100.760
bonds (distance) P-C4' energy: -85.552
flat angles C4'-P-C4' energy: -108.184
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -135.115
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: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1604.338696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.338696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.338696 (E_RNA)
where:
Base-Base interactions energy: -1140.717
where: short stacking energy: -477.480
Base-Backbone interact. energy: -3.780
local terms energy: -459.841337
where:
bonds (distance) C4'-P energy: -87.776
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -100.904
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -127.914
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: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1491.447012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.447012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.447012 (E_RNA)
where:
Base-Base interactions energy: -1031.445
where: short stacking energy: -467.766
Base-Backbone interact. energy: 0.803
local terms energy: -460.805682
where:
bonds (distance) C4'-P energy: -90.228
bonds (distance) P-C4' energy: -75.208
flat angles C4'-P-C4' energy: -105.657
flat angles P-C4'-P energy: -61.823
tors. eta vs tors. theta energy: -127.889
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: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1435.042225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.042225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.042225 (E_RNA)
where:
Base-Base interactions energy: -983.178
where: short stacking energy: -441.787
Base-Backbone interact. energy: -1.844
local terms energy: -450.020560
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -82.832
flat angles C4'-P-C4' energy: -109.638
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -116.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1230.981761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.981761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.981761 (E_RNA)
where:
Base-Base interactions energy: -815.686
where: short stacking energy: -376.118
Base-Backbone interact. energy: -0.681
local terms energy: -414.614359
where:
bonds (distance) C4'-P energy: -68.649
bonds (distance) P-C4' energy: -94.120
flat angles C4'-P-C4' energy: -88.391
flat angles P-C4'-P energy: -56.622
tors. eta vs tors. theta energy: -106.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1155.431029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.431029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.431029 (E_RNA)
where:
Base-Base interactions energy: -781.044
where: short stacking energy: -331.700
Base-Backbone interact. energy: 0.101
local terms energy: -374.488461
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -82.742
flat angles C4'-P-C4' energy: -81.308
flat angles P-C4'-P energy: -51.317
tors. eta vs tors. theta energy: -82.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1094.284555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.284555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.284555 (E_RNA)
where:
Base-Base interactions energy: -728.669
where: short stacking energy: -333.052
Base-Backbone interact. energy: -2.086
local terms energy: -363.529719
where:
bonds (distance) C4'-P energy: -75.745
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -85.258
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -81.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -907.444423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.444423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.444423 (E_RNA)
where:
Base-Base interactions energy: -552.385
where: short stacking energy: -257.817
Base-Backbone interact. energy: 1.934
local terms energy: -356.993981
where:
bonds (distance) C4'-P energy: -80.485
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -60.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -755.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.400134 (E_RNA)
where:
Base-Base interactions energy: -444.415
where: short stacking energy: -221.813
Base-Backbone interact. energy: -1.070
local terms energy: -309.915045
where:
bonds (distance) C4'-P energy: -84.369
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -82.232
flat angles P-C4'-P energy: -39.422
tors. eta vs tors. theta energy: -29.729
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: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -650.845700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.845700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.845700 (E_RNA)
where:
Base-Base interactions energy: -367.654
where: short stacking energy: -181.988
Base-Backbone interact. energy: 1.898
local terms energy: -285.089110
where:
bonds (distance) C4'-P energy: -83.715
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -77.132
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1617.235218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.235218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.235218 (E_RNA)
where:
Base-Base interactions energy: -1122.496
where: short stacking energy: -503.360
Base-Backbone interact. energy: 0.342
local terms energy: -495.080998
where:
bonds (distance) C4'-P energy: -94.286
bonds (distance) P-C4' energy: -101.924
flat angles C4'-P-C4' energy: -100.526
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -136.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1598.281702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.281702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.281702 (E_RNA)
where:
Base-Base interactions energy: -1123.620
where: short stacking energy: -474.281
Base-Backbone interact. energy: -1.903
local terms energy: -472.758453
where:
bonds (distance) C4'-P energy: -83.912
bonds (distance) P-C4' energy: -88.424
flat angles C4'-P-C4' energy: -100.732
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -126.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1473.452890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.452890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.452890 (E_RNA)
where:
Base-Base interactions energy: -1030.399
where: short stacking energy: -464.119
Base-Backbone interact. energy: -3.780
local terms energy: -439.274262
where:
bonds (distance) C4'-P energy: -78.635
bonds (distance) P-C4' energy: -87.369
flat angles C4'-P-C4' energy: -89.158
flat angles P-C4'-P energy: -67.523
tors. eta vs tors. theta energy: -116.589
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: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1435.568791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.568791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.568791 (E_RNA)
where:
Base-Base interactions energy: -996.436
where: short stacking energy: -448.134
Base-Backbone interact. energy: -1.839
local terms energy: -437.293507
where:
bonds (distance) C4'-P energy: -79.612
bonds (distance) P-C4' energy: -77.274
flat angles C4'-P-C4' energy: -93.092
flat angles P-C4'-P energy: -61.309
tors. eta vs tors. theta energy: -126.006
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: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1210.957319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.957319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.957319 (E_RNA)
where:
Base-Base interactions energy: -805.381
where: short stacking energy: -364.518
Base-Backbone interact. energy: 1.393
local terms energy: -406.969436
where:
bonds (distance) C4'-P energy: -91.248
bonds (distance) P-C4' energy: -84.833
flat angles C4'-P-C4' energy: -85.019
flat angles P-C4'-P energy: -63.904
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: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1150.200852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.200852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.200852 (E_RNA)
where:
Base-Base interactions energy: -767.555
where: short stacking energy: -362.530
Base-Backbone interact. energy: -2.133
local terms energy: -380.513307
where:
bonds (distance) C4'-P energy: -57.123
bonds (distance) P-C4' energy: -76.602
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -89.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1105.233117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.233117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.233117 (E_RNA)
where:
Base-Base interactions energy: -744.652
where: short stacking energy: -343.827
Base-Backbone interact. energy: 1.447
local terms energy: -362.027911
where:
bonds (distance) C4'-P energy: -69.088
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -76.992
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -913.520327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.520327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.520327 (E_RNA)
where:
Base-Base interactions energy: -610.749
where: short stacking energy: -276.442
Base-Backbone interact. energy: 1.550
local terms energy: -304.321910
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -63.818
flat angles C4'-P-C4' energy: -82.130
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -47.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -689.619079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.619079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.619079 (E_RNA)
where:
Base-Base interactions energy: -410.960
where: short stacking energy: -204.922
Base-Backbone interact. energy: 1.743
local terms energy: -280.402245
where:
bonds (distance) C4'-P energy: -84.717
bonds (distance) P-C4' energy: -64.292
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -639.110277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.110277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.110277 (E_RNA)
where:
Base-Base interactions energy: -374.469
where: short stacking energy: -188.845
Base-Backbone interact. energy: 3.124
local terms energy: -267.765312
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -78.426
flat angles C4'-P-C4' energy: -64.915
flat angles P-C4'-P energy: -31.182
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1636.965593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.965593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.965593 (E_RNA)
where:
Base-Base interactions energy: -1140.144
where: short stacking energy: -507.274
Base-Backbone interact. energy: 0.186
local terms energy: -497.007001
where:
bonds (distance) C4'-P energy: -84.776
bonds (distance) P-C4' energy: -95.109
flat angles C4'-P-C4' energy: -108.101
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -139.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1610.040495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.040495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.040495 (E_RNA)
where:
Base-Base interactions energy: -1126.357
where: short stacking energy: -469.173
Base-Backbone interact. energy: -2.374
local terms energy: -481.309087
where:
bonds (distance) C4'-P energy: -97.102
bonds (distance) P-C4' energy: -96.031
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -63.894
tors. eta vs tors. theta energy: -121.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1481.906814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.906814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.906814 (E_RNA)
where:
Base-Base interactions energy: -1033.765
where: short stacking energy: -452.217
Base-Backbone interact. energy: -1.346
local terms energy: -446.795995
where:
bonds (distance) C4'-P energy: -82.260
bonds (distance) P-C4' energy: -92.024
flat angles C4'-P-C4' energy: -95.087
flat angles P-C4'-P energy: -57.793
tors. eta vs tors. theta energy: -119.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1430.354642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.354642 (E_RNA)
where:
Base-Base interactions energy: -999.225
where: short stacking energy: -435.020
Base-Backbone interact. energy: -0.609
local terms energy: -430.520947
where:
bonds (distance) C4'-P energy: -79.019
bonds (distance) P-C4' energy: -87.046
flat angles C4'-P-C4' energy: -94.731
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: -115.249
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1216.768394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.768394 (E_RNA)
where:
Base-Base interactions energy: -819.696
where: short stacking energy: -378.322
Base-Backbone interact. energy: -1.150
local terms energy: -395.922471
where:
bonds (distance) C4'-P energy: -72.340
bonds (distance) P-C4' energy: -82.139
flat angles C4'-P-C4' energy: -77.782
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -101.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1202.212357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.212357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.212357 (E_RNA)
where:
Base-Base interactions energy: -796.730
where: short stacking energy: -383.314
Base-Backbone interact. energy: -1.485
local terms energy: -403.997685
where:
bonds (distance) C4'-P energy: -80.982
bonds (distance) P-C4' energy: -75.224
flat angles C4'-P-C4' energy: -82.093
flat angles P-C4'-P energy: -62.594
tors. eta vs tors. theta energy: -103.106
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: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1086.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.005217 (E_RNA)
where:
Base-Base interactions energy: -718.681
where: short stacking energy: -338.344
Base-Backbone interact. energy: 4.366
local terms energy: -371.690875
where:
bonds (distance) C4'-P energy: -73.920
bonds (distance) P-C4' energy: -93.432
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -78.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -969.999391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.999391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.999391 (E_RNA)
where:
Base-Base interactions energy: -629.087
where: short stacking energy: -281.208
Base-Backbone interact. energy: 1.672
local terms energy: -342.584916
where:
bonds (distance) C4'-P energy: -72.127
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -81.242
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -59.850
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -684.615659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.615659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.615659 (E_RNA)
where:
Base-Base interactions energy: -411.173
where: short stacking energy: -216.098
Base-Backbone interact. energy: 12.734
local terms energy: -286.176036
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -79.811
flat angles C4'-P-C4' energy: -76.414
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -22.373
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -647.379556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.379556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.379556 (E_RNA)
where:
Base-Base interactions energy: -364.759
where: short stacking energy: -187.605
Base-Backbone interact. energy: 0.215
local terms energy: -282.835740
where:
bonds (distance) C4'-P energy: -75.799
bonds (distance) P-C4' energy: -80.649
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1629.137823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.137823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.137823 (E_RNA)
where:
Base-Base interactions energy: -1129.605
where: short stacking energy: -491.102
Base-Backbone interact. energy: -1.497
local terms energy: -498.035281
where:
bonds (distance) C4'-P energy: -84.488
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -98.826
flat angles P-C4'-P energy: -73.404
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: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1597.687509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.687509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.687509 (E_RNA)
where:
Base-Base interactions energy: -1123.339
where: short stacking energy: -459.968
Base-Backbone interact. energy: -1.182
local terms energy: -473.166293
where:
bonds (distance) C4'-P energy: -90.278
bonds (distance) P-C4' energy: -85.564
flat angles C4'-P-C4' energy: -101.347
flat angles P-C4'-P energy: -68.755
tors. eta vs tors. theta energy: -127.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1474.110934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.110934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.110934 (E_RNA)
where:
Base-Base interactions energy: -1013.409
where: short stacking energy: -440.315
Base-Backbone interact. energy: -0.645
local terms energy: -460.057442
where:
bonds (distance) C4'-P energy: -76.776
bonds (distance) P-C4' energy: -89.021
flat angles C4'-P-C4' energy: -100.358
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -126.799
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: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1418.765292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.765292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.765292 (E_RNA)
where:
Base-Base interactions energy: -967.754
where: short stacking energy: -401.330
Base-Backbone interact. energy: 2.231
local terms energy: -453.243104
where:
bonds (distance) C4'-P energy: -89.980
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -96.886
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -105.173
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: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1244.152038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.152038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.152038 (E_RNA)
where:
Base-Base interactions energy: -822.822
where: short stacking energy: -367.077
Base-Backbone interact. energy: 0.060
local terms energy: -421.389591
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -91.869
flat angles C4'-P-C4' energy: -94.513
flat angles P-C4'-P energy: -51.120
tors. eta vs tors. theta energy: -98.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1175.364472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.364472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.364472 (E_RNA)
where:
Base-Base interactions energy: -768.399
where: short stacking energy: -382.470
Base-Backbone interact. energy: 0.444
local terms energy: -407.409758
where:
bonds (distance) C4'-P energy: -85.634
bonds (distance) P-C4' energy: -86.734
flat angles C4'-P-C4' energy: -93.161
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -101.834
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: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1028.445402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.445402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.445402 (E_RNA)
where:
Base-Base interactions energy: -685.477
where: short stacking energy: -320.938
Base-Backbone interact. energy: -1.497
local terms energy: -341.470735
where:
bonds (distance) C4'-P energy: -72.520
bonds (distance) P-C4' energy: -68.277
flat angles C4'-P-C4' energy: -86.323
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -67.596
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: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -963.754070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.754070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.754070 (E_RNA)
where:
Base-Base interactions energy: -626.987
where: short stacking energy: -255.034
Base-Backbone interact. energy: -1.621
local terms energy: -335.146276
where:
bonds (distance) C4'-P energy: -82.738
bonds (distance) P-C4' energy: -72.727
flat angles C4'-P-C4' energy: -81.378
flat angles P-C4'-P energy: -54.112
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -706.758568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.758568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.758568 (E_RNA)
where:
Base-Base interactions energy: -410.610
where: short stacking energy: -206.048
Base-Backbone interact. energy: -0.949
local terms energy: -295.199382
where:
bonds (distance) C4'-P energy: -68.951
bonds (distance) P-C4' energy: -84.951
flat angles C4'-P-C4' energy: -83.706
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -655.271384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.271384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.271384 (E_RNA)
where:
Base-Base interactions energy: -383.367
where: short stacking energy: -211.350
Base-Backbone interact. energy: -2.196
local terms energy: -269.707862
where:
bonds (distance) C4'-P energy: -85.145
bonds (distance) P-C4' energy: -76.259
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1627.721968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.721968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.721968 (E_RNA)
where:
Base-Base interactions energy: -1137.652
where: short stacking energy: -496.765
Base-Backbone interact. energy: 0.319
local terms energy: -490.388766
where:
bonds (distance) C4'-P energy: -95.863
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -102.366
flat angles P-C4'-P energy: -63.337
tors. eta vs tors. theta energy: -141.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1579.954186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.954186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.954186 (E_RNA)
where:
Base-Base interactions energy: -1109.563
where: short stacking energy: -469.452
Base-Backbone interact. energy: -1.991
local terms energy: -468.400193
where:
bonds (distance) C4'-P energy: -91.377
bonds (distance) P-C4' energy: -91.039
flat angles C4'-P-C4' energy: -95.073
flat angles P-C4'-P energy: -65.379
tors. eta vs tors. theta energy: -125.531
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: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1498.908709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.908709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.908709 (E_RNA)
where:
Base-Base interactions energy: -1012.754
where: short stacking energy: -461.627
Base-Backbone interact. energy: -0.433
local terms energy: -485.720946
where:
bonds (distance) C4'-P energy: -88.693
bonds (distance) P-C4' energy: -89.554
flat angles C4'-P-C4' energy: -110.491
flat angles P-C4'-P energy: -68.372
tors. eta vs tors. theta energy: -128.610
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: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1405.124421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.124421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.124421 (E_RNA)
where:
Base-Base interactions energy: -978.076
where: short stacking energy: -446.845
Base-Backbone interact. energy: -1.913
local terms energy: -425.135890
where:
bonds (distance) C4'-P energy: -80.277
bonds (distance) P-C4' energy: -80.127
flat angles C4'-P-C4' energy: -84.030
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -118.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1277.738787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.738787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.738787 (E_RNA)
where:
Base-Base interactions energy: -850.083
where: short stacking energy: -393.028
Base-Backbone interact. energy: 2.514
local terms energy: -430.170331
where:
bonds (distance) C4'-P energy: -83.741
bonds (distance) P-C4' energy: -80.389
flat angles C4'-P-C4' energy: -101.112
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -107.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1159.350061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.350061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.350061 (E_RNA)
where:
Base-Base interactions energy: -755.298
where: short stacking energy: -350.217
Base-Backbone interact. energy: -0.833
local terms energy: -403.218843
where:
bonds (distance) C4'-P energy: -69.236
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -89.922
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: -103.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1013.185555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.185555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.185555 (E_RNA)
where:
Base-Base interactions energy: -680.118
where: short stacking energy: -305.880
Base-Backbone interact. energy: -3.038
local terms energy: -330.029208
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -63.833
flat angles C4'-P-C4' energy: -72.813
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: -55.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -968.985993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.985993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.985993 (E_RNA)
where:
Base-Base interactions energy: -656.568
where: short stacking energy: -299.585
Base-Backbone interact. energy: -3.646
local terms energy: -308.772320
where:
bonds (distance) C4'-P energy: -87.375
bonds (distance) P-C4' energy: -53.706
flat angles C4'-P-C4' energy: -68.740
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -61.153
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: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -620.862717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.862717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.862717 (E_RNA)
where:
Base-Base interactions energy: -331.034
where: short stacking energy: -177.766
Base-Backbone interact. energy: 3.359
local terms energy: -293.188013
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -78.902
flat angles C4'-P-C4' energy: -71.464
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -8.605
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: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -671.114705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.114705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.114705 (E_RNA)
where:
Base-Base interactions energy: -405.563
where: short stacking energy: -191.939
Base-Backbone interact. energy: -1.575
local terms energy: -263.976645
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -71.692
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -8.464
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: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1640.558582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.558582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.558582 (E_RNA)
where:
Base-Base interactions energy: -1130.356
where: short stacking energy: -497.090
Base-Backbone interact. energy: -2.339
local terms energy: -507.864112
where:
bonds (distance) C4'-P energy: -91.268
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -103.864
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -147.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1563.894807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.894807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.894807 (E_RNA)
where:
Base-Base interactions energy: -1106.206
where: short stacking energy: -460.022
Base-Backbone interact. energy: -1.102
local terms energy: -456.587082
where:
bonds (distance) C4'-P energy: -86.225
bonds (distance) P-C4' energy: -86.333
flat angles C4'-P-C4' energy: -94.519
flat angles P-C4'-P energy: -67.066
tors. eta vs tors. theta energy: -122.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1480.932492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.932492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.932492 (E_RNA)
where:
Base-Base interactions energy: -1017.336
where: short stacking energy: -450.532
Base-Backbone interact. energy: -2.301
local terms energy: -461.295832
where:
bonds (distance) C4'-P energy: -79.873
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -99.130
flat angles P-C4'-P energy: -58.481
tors. eta vs tors. theta energy: -130.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1442.389960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.389960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.389960 (E_RNA)
where:
Base-Base interactions energy: -993.251
where: short stacking energy: -451.581
Base-Backbone interact. energy: -1.347
local terms energy: -447.792175
where:
bonds (distance) C4'-P energy: -82.878
bonds (distance) P-C4' energy: -88.005
flat angles C4'-P-C4' energy: -92.350
flat angles P-C4'-P energy: -58.585
tors. eta vs tors. theta energy: -125.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1301.663507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.663507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.663507 (E_RNA)
where:
Base-Base interactions energy: -905.227
where: short stacking energy: -429.528
Base-Backbone interact. energy: 1.219
local terms energy: -397.656007
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -58.488
flat angles C4'-P-C4' energy: -96.167
flat angles P-C4'-P energy: -57.021
tors. eta vs tors. theta energy: -122.138
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: 129
Temperature: 1.150000
Total energy: -1161.051466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.051466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.051466 (E_RNA)
where:
Base-Base interactions energy: -772.389
where: short stacking energy: -353.450
Base-Backbone interact. energy: -1.911
local terms energy: -386.750771
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -82.799
flat angles C4'-P-C4' energy: -86.917
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -89.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1023.871185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.871185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.871185 (E_RNA)
where:
Base-Base interactions energy: -663.951
where: short stacking energy: -314.095
Base-Backbone interact. energy: -2.984
local terms energy: -356.935957
where:
bonds (distance) C4'-P energy: -66.625
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -91.917
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -74.482
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: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -906.542097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.542097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.542097 (E_RNA)
where:
Base-Base interactions energy: -596.677
where: short stacking energy: -276.317
Base-Backbone interact. energy: 1.387
local terms energy: -311.252002
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -67.990
flat angles C4'-P-C4' energy: -74.751
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -49.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -640.715343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.715343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.715343 (E_RNA)
where:
Base-Base interactions energy: -337.745
where: short stacking energy: -189.171
Base-Backbone interact. energy: -1.069
local terms energy: -301.902195
where:
bonds (distance) C4'-P energy: -83.167
bonds (distance) P-C4' energy: -74.908
flat angles C4'-P-C4' energy: -68.413
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -28.995
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -669.836120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.836120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.836120 (E_RNA)
where:
Base-Base interactions energy: -403.495
where: short stacking energy: -194.259
Base-Backbone interact. energy: -0.011
local terms energy: -266.330425
where:
bonds (distance) C4'-P energy: -73.446
bonds (distance) P-C4' energy: -58.823
flat angles C4'-P-C4' energy: -70.071
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1636.576063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.576063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.576063 (E_RNA)
where:
Base-Base interactions energy: -1136.388
where: short stacking energy: -511.455
Base-Backbone interact. energy: -2.520
local terms energy: -497.667946
where:
bonds (distance) C4'-P energy: -89.190
bonds (distance) P-C4' energy: -87.919
flat angles C4'-P-C4' energy: -102.160
flat angles P-C4'-P energy: -72.558
tors. eta vs tors. theta energy: -145.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1527.151692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.151692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.151692 (E_RNA)
where:
Base-Base interactions energy: -1058.494
where: short stacking energy: -454.617
Base-Backbone interact. energy: -3.065
local terms energy: -465.592664
where:
bonds (distance) C4'-P energy: -86.997
bonds (distance) P-C4' energy: -92.036
flat angles C4'-P-C4' energy: -99.728
flat angles P-C4'-P energy: -63.218
tors. eta vs tors. theta energy: -123.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1459.463544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.463544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.463544 (E_RNA)
where:
Base-Base interactions energy: -980.551
where: short stacking energy: -441.361
Base-Backbone interact. energy: -0.149
local terms energy: -478.763961
where:
bonds (distance) C4'-P energy: -88.655
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -110.072
flat angles P-C4'-P energy: -71.047
tors. eta vs tors. theta energy: -119.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1427.941906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.941906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.941906 (E_RNA)
where:
Base-Base interactions energy: -967.426
where: short stacking energy: -445.807
Base-Backbone interact. energy: 0.618
local terms energy: -461.134146
where:
bonds (distance) C4'-P energy: -85.027
bonds (distance) P-C4' energy: -93.590
flat angles C4'-P-C4' energy: -107.060
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -121.093
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: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1283.641510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.641510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.641510 (E_RNA)
where:
Base-Base interactions energy: -836.183
where: short stacking energy: -392.663
Base-Backbone interact. energy: -1.303
local terms energy: -446.154745
where:
bonds (distance) C4'-P energy: -74.510
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -104.627
flat angles P-C4'-P energy: -67.998
tors. eta vs tors. theta energy: -109.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1147.799281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.799281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.799281 (E_RNA)
where:
Base-Base interactions energy: -779.041
where: short stacking energy: -363.137
Base-Backbone interact. energy: 0.757
local terms energy: -369.515349
where:
bonds (distance) C4'-P energy: -77.508
bonds (distance) P-C4' energy: -65.145
flat angles C4'-P-C4' energy: -97.550
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: -81.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1017.563496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.563496 (E_RNA)
where:
Base-Base interactions energy: -679.564
where: short stacking energy: -311.014
Base-Backbone interact. energy: -1.213
local terms energy: -336.786217
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -71.524
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: -68.045
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: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -916.490271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.490271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.490271 (E_RNA)
where:
Base-Base interactions energy: -596.849
where: short stacking energy: -284.732
Base-Backbone interact. energy: 2.146
local terms energy: -321.787215
where:
bonds (distance) C4'-P energy: -73.317
bonds (distance) P-C4' energy: -78.737
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -48.439
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -700.700112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.700112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.700112 (E_RNA)
where:
Base-Base interactions energy: -401.421
where: short stacking energy: -187.889
Base-Backbone interact. energy: 2.747
local terms energy: -302.025241
where:
bonds (distance) C4'-P energy: -82.624
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -63.513
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -587.534101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.534101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.534101 (E_RNA)
where:
Base-Base interactions energy: -332.655
where: short stacking energy: -191.666
Base-Backbone interact. energy: 3.584
local terms energy: -258.463718
where:
bonds (distance) C4'-P energy: -75.052
bonds (distance) P-C4' energy: -73.062
flat angles C4'-P-C4' energy: -69.148
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1626.619727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.619727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.619727 (E_RNA)
where:
Base-Base interactions energy: -1128.089
where: short stacking energy: -506.578
Base-Backbone interact. energy: -2.843
local terms energy: -495.687617
where:
bonds (distance) C4'-P energy: -87.154
bonds (distance) P-C4' energy: -97.360
flat angles C4'-P-C4' energy: -105.590
flat angles P-C4'-P energy: -65.152
tors. eta vs tors. theta energy: -140.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1587.126613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.126613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.126613 (E_RNA)
where:
Base-Base interactions energy: -1121.940
where: short stacking energy: -468.745
Base-Backbone interact. energy: -1.430
local terms energy: -463.757135
where:
bonds (distance) C4'-P energy: -85.200
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -106.486
flat angles P-C4'-P energy: -65.764
tors. eta vs tors. theta energy: -120.102
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: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1438.814939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.814939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.814939 (E_RNA)
where:
Base-Base interactions energy: -975.854
where: short stacking energy: -451.746
Base-Backbone interact. energy: -1.452
local terms energy: -461.508801
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -97.998
flat angles C4'-P-C4' energy: -103.164
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -124.904
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: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1444.158311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.158311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.158311 (E_RNA)
where:
Base-Base interactions energy: -1006.463
where: short stacking energy: -437.713
Base-Backbone interact. energy: -1.854
local terms energy: -435.841755
where:
bonds (distance) C4'-P energy: -78.332
bonds (distance) P-C4' energy: -91.468
flat angles C4'-P-C4' energy: -88.862
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -115.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1247.484988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.484988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.484988 (E_RNA)
where:
Base-Base interactions energy: -820.537
where: short stacking energy: -409.827
Base-Backbone interact. energy: 0.464
local terms energy: -427.411536
where:
bonds (distance) C4'-P energy: -80.355
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -94.647
flat angles P-C4'-P energy: -63.678
tors. eta vs tors. theta energy: -109.981
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1178.060067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.060067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.060067 (E_RNA)
where:
Base-Base interactions energy: -787.806
where: short stacking energy: -363.882
Base-Backbone interact. energy: -2.497
local terms energy: -387.757343
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -96.592
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -90.203
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: 131
Temperature: 1.200000
Total energy: -1051.862600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.862600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.862600 (E_RNA)
where:
Base-Base interactions energy: -703.953
where: short stacking energy: -331.190
Base-Backbone interact. energy: 3.459
local terms energy: -351.369265
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -85.300
flat angles C4'-P-C4' energy: -74.717
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -66.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -993.677087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.677087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.677087 (E_RNA)
where:
Base-Base interactions energy: -643.172
where: short stacking energy: -267.534
Base-Backbone interact. energy: -0.788
local terms energy: -349.717239
where:
bonds (distance) C4'-P energy: -67.074
bonds (distance) P-C4' energy: -93.930
flat angles C4'-P-C4' energy: -85.482
flat angles P-C4'-P energy: -48.585
tors. eta vs tors. theta energy: -54.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -701.643379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.643379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.643379 (E_RNA)
where:
Base-Base interactions energy: -410.804
where: short stacking energy: -222.020
Base-Backbone interact. energy: -0.263
local terms energy: -290.576712
where:
bonds (distance) C4'-P energy: -75.424
bonds (distance) P-C4' energy: -71.191
flat angles C4'-P-C4' energy: -63.151
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: -39.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -612.192090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.192090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.192090 (E_RNA)
where:
Base-Base interactions energy: -353.875
where: short stacking energy: -170.487
Base-Backbone interact. energy: 4.433
local terms energy: -262.749719
where:
bonds (distance) C4'-P energy: -76.583
bonds (distance) P-C4' energy: -76.922
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -13.662
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: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1639.584475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.584475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.584475 (E_RNA)
where:
Base-Base interactions energy: -1103.878
where: short stacking energy: -491.617
Base-Backbone interact. energy: -1.560
local terms energy: -534.145958
where:
bonds (distance) C4'-P energy: -101.788
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -111.492
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -145.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1577.148240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.148240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.148240 (E_RNA)
where:
Base-Base interactions energy: -1126.236
where: short stacking energy: -475.153
Base-Backbone interact. energy: -3.060
local terms energy: -447.851974
where:
bonds (distance) C4'-P energy: -86.308
bonds (distance) P-C4' energy: -80.109
flat angles C4'-P-C4' energy: -93.614
flat angles P-C4'-P energy: -66.836
tors. eta vs tors. theta energy: -120.985
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1492.565610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.565610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.565610 (E_RNA)
where:
Base-Base interactions energy: -1011.382
where: short stacking energy: -446.816
Base-Backbone interact. energy: -1.490
local terms energy: -479.694346
where:
bonds (distance) C4'-P energy: -93.714
bonds (distance) P-C4' energy: -90.583
flat angles C4'-P-C4' energy: -99.552
flat angles P-C4'-P energy: -74.857
tors. eta vs tors. theta energy: -120.989
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: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1398.874839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.874839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.874839 (E_RNA)
where:
Base-Base interactions energy: -935.485
where: short stacking energy: -423.819
Base-Backbone interact. energy: -2.430
local terms energy: -460.960248
where:
bonds (distance) C4'-P energy: -95.325
bonds (distance) P-C4' energy: -85.067
flat angles C4'-P-C4' energy: -90.730
flat angles P-C4'-P energy: -63.402
tors. eta vs tors. theta energy: -126.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1263.363541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.363541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.363541 (E_RNA)
where:
Base-Base interactions energy: -843.325
where: short stacking energy: -378.014
Base-Backbone interact. energy: -1.886
local terms energy: -418.152742
where:
bonds (distance) C4'-P energy: -79.100
bonds (distance) P-C4' energy: -91.372
flat angles C4'-P-C4' energy: -85.107
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: -106.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1200.492298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.492298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.492298 (E_RNA)
where:
Base-Base interactions energy: -785.655
where: short stacking energy: -368.166
Base-Backbone interact. energy: 0.801
local terms energy: -415.639256
where:
bonds (distance) C4'-P energy: -86.103
bonds (distance) P-C4' energy: -85.311
flat angles C4'-P-C4' energy: -94.713
flat angles P-C4'-P energy: -44.951
tors. eta vs tors. theta energy: -104.562
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: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1110.493650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.493650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.493650 (E_RNA)
where:
Base-Base interactions energy: -735.694
where: short stacking energy: -331.111
Base-Backbone interact. energy: -1.059
local terms energy: -373.740569
where:
bonds (distance) C4'-P energy: -66.613
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -80.903
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -82.502
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: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -945.647811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.647811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.647811 (E_RNA)
where:
Base-Base interactions energy: -621.383
where: short stacking energy: -278.195
Base-Backbone interact. energy: -0.958
local terms energy: -323.306553
where:
bonds (distance) C4'-P energy: -70.328
bonds (distance) P-C4' energy: -74.847
flat angles C4'-P-C4' energy: -72.604
flat angles P-C4'-P energy: -56.663
tors. eta vs tors. theta energy: -48.865
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: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -698.960569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.960569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.960569 (E_RNA)
where:
Base-Base interactions energy: -400.520
where: short stacking energy: -208.698
Base-Backbone interact. energy: -1.754
local terms energy: -296.686757
where:
bonds (distance) C4'-P energy: -65.953
bonds (distance) P-C4' energy: -88.568
flat angles C4'-P-C4' energy: -87.847
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -576.282699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.282699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.282699 (E_RNA)
where:
Base-Base interactions energy: -298.263
where: short stacking energy: -167.335
Base-Backbone interact. energy: -3.560
local terms energy: -274.459003
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -16.780
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: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1625.397901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.397901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.397901 (E_RNA)
where:
Base-Base interactions energy: -1128.163
where: short stacking energy: -496.231
Base-Backbone interact. energy: -1.996
local terms energy: -495.239251
where:
bonds (distance) C4'-P energy: -81.505
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -97.779
flat angles P-C4'-P energy: -71.922
tors. eta vs tors. theta energy: -149.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1580.981299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.981299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.981299 (E_RNA)
where:
Base-Base interactions energy: -1125.907
where: short stacking energy: -468.453
Base-Backbone interact. energy: 0.701
local terms energy: -455.775234
where:
bonds (distance) C4'-P energy: -74.181
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -106.936
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -127.138
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: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1482.606484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.606484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.606484 (E_RNA)
where:
Base-Base interactions energy: -1003.611
where: short stacking energy: -437.326
Base-Backbone interact. energy: -1.562
local terms energy: -477.433555
where:
bonds (distance) C4'-P energy: -93.513
bonds (distance) P-C4' energy: -88.997
flat angles C4'-P-C4' energy: -95.948
flat angles P-C4'-P energy: -73.099
tors. eta vs tors. theta energy: -125.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1421.138091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.138091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.138091 (E_RNA)
where:
Base-Base interactions energy: -960.587
where: short stacking energy: -426.905
Base-Backbone interact. energy: -0.999
local terms energy: -459.552555
where:
bonds (distance) C4'-P energy: -80.125
bonds (distance) P-C4' energy: -88.075
flat angles C4'-P-C4' energy: -95.710
flat angles P-C4'-P energy: -66.653
tors. eta vs tors. theta energy: -128.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1269.447579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.447579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.447579 (E_RNA)
where:
Base-Base interactions energy: -824.421
where: short stacking energy: -394.389
Base-Backbone interact. energy: -0.677
local terms energy: -444.350150
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -87.822
flat angles C4'-P-C4' energy: -94.327
flat angles P-C4'-P energy: -60.543
tors. eta vs tors. theta energy: -110.503
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1233.558242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.558242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.558242 (E_RNA)
where:
Base-Base interactions energy: -837.785
where: short stacking energy: -378.189
Base-Backbone interact. energy: -0.782
local terms energy: -394.991849
where:
bonds (distance) C4'-P energy: -78.096
bonds (distance) P-C4' energy: -72.595
flat angles C4'-P-C4' energy: -93.216
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -98.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1093.313419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.313419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.313419 (E_RNA)
where:
Base-Base interactions energy: -713.035
where: short stacking energy: -337.795
Base-Backbone interact. energy: 3.026
local terms energy: -383.305319
where:
bonds (distance) C4'-P energy: -79.549
bonds (distance) P-C4' energy: -82.566
flat angles C4'-P-C4' energy: -86.969
flat angles P-C4'-P energy: -55.387
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: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -897.611145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.611145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.611145 (E_RNA)
where:
Base-Base interactions energy: -569.546
where: short stacking energy: -257.166
Base-Backbone interact. energy: -2.008
local terms energy: -326.057038
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -89.718
flat angles C4'-P-C4' energy: -71.078
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -48.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -702.226385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.226385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.226385 (E_RNA)
where:
Base-Base interactions energy: -415.652
where: short stacking energy: -215.470
Base-Backbone interact. energy: 2.050
local terms energy: -288.623769
where:
bonds (distance) C4'-P energy: -76.568
bonds (distance) P-C4' energy: -80.524
flat angles C4'-P-C4' energy: -69.595
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -571.837490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.837490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.837490 (E_RNA)
where:
Base-Base interactions energy: -297.771
where: short stacking energy: -167.270
Base-Backbone interact. energy: 4.417
local terms energy: -278.483631
where:
bonds (distance) C4'-P energy: -70.987
bonds (distance) P-C4' energy: -79.720
flat angles C4'-P-C4' energy: -72.943
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1648.658335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.658335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.658335 (E_RNA)
where:
Base-Base interactions energy: -1134.004
where: short stacking energy: -498.853
Base-Backbone interact. energy: -1.617
local terms energy: -513.036570
where:
bonds (distance) C4'-P energy: -91.373
bonds (distance) P-C4' energy: -90.935
flat angles C4'-P-C4' energy: -109.786
flat angles P-C4'-P energy: -77.327
tors. eta vs tors. theta energy: -143.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1605.256673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.256673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.256673 (E_RNA)
where:
Base-Base interactions energy: -1134.534
where: short stacking energy: -473.107
Base-Backbone interact. energy: 1.532
local terms energy: -472.254780
where:
bonds (distance) C4'-P energy: -94.986
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -102.279
flat angles P-C4'-P energy: -67.893
tors. eta vs tors. theta energy: -123.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1505.854324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.854324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.854324 (E_RNA)
where:
Base-Base interactions energy: -1043.929
where: short stacking energy: -467.428
Base-Backbone interact. energy: 0.346
local terms energy: -462.271153
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -86.504
flat angles C4'-P-C4' energy: -109.401
flat angles P-C4'-P energy: -65.938
tors. eta vs tors. theta energy: -125.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1425.761388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.761388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.761388 (E_RNA)
where:
Base-Base interactions energy: -969.949
where: short stacking energy: -461.905
Base-Backbone interact. energy: -2.242
local terms energy: -453.570510
where:
bonds (distance) C4'-P energy: -81.050
bonds (distance) P-C4' energy: -101.711
flat angles C4'-P-C4' energy: -89.748
flat angles P-C4'-P energy: -54.547
tors. eta vs tors. theta energy: -126.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1296.134897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.134897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.134897 (E_RNA)
where:
Base-Base interactions energy: -872.241
where: short stacking energy: -407.290
Base-Backbone interact. energy: -0.991
local terms energy: -422.903144
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -83.318
flat angles C4'-P-C4' energy: -87.809
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -109.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1198.571627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.571627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.571627 (E_RNA)
where:
Base-Base interactions energy: -795.312
where: short stacking energy: -388.351
Base-Backbone interact. energy: -1.032
local terms energy: -402.227396
where:
bonds (distance) C4'-P energy: -69.559
bonds (distance) P-C4' energy: -78.488
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -57.116
tors. eta vs tors. theta energy: -101.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1075.962644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.962644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.962644 (E_RNA)
where:
Base-Base interactions energy: -712.437
where: short stacking energy: -332.717
Base-Backbone interact. energy: -2.161
local terms energy: -361.364892
where:
bonds (distance) C4'-P energy: -69.118
bonds (distance) P-C4' energy: -75.654
flat angles C4'-P-C4' energy: -88.864
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -75.756
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: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -877.901043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.901043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.901043 (E_RNA)
where:
Base-Base interactions energy: -555.471
where: short stacking energy: -265.213
Base-Backbone interact. energy: -0.438
local terms energy: -321.992618
where:
bonds (distance) C4'-P energy: -76.293
bonds (distance) P-C4' energy: -84.005
flat angles C4'-P-C4' energy: -82.629
flat angles P-C4'-P energy: -33.391
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -688.767590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.767590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.767590 (E_RNA)
where:
Base-Base interactions energy: -420.164
where: short stacking energy: -213.996
Base-Backbone interact. energy: -0.902
local terms energy: -267.701931
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -76.940
flat angles C4'-P-C4' energy: -75.163
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -25.386
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: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -573.223070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.223070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.223070 (E_RNA)
where:
Base-Base interactions energy: -312.006
where: short stacking energy: -167.350
Base-Backbone interact. energy: 3.449
local terms energy: -264.666457
where:
bonds (distance) C4'-P energy: -74.862
bonds (distance) P-C4' energy: -78.039
flat angles C4'-P-C4' energy: -67.506
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: 6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1646.907675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.907675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.907675 (E_RNA)
where:
Base-Base interactions energy: -1141.458
where: short stacking energy: -517.214
Base-Backbone interact. energy: 0.474
local terms energy: -505.923077
where:
bonds (distance) C4'-P energy: -87.889
bonds (distance) P-C4' energy: -88.552
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -153.988
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: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1576.729501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.729501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.729501 (E_RNA)
where:
Base-Base interactions energy: -1122.423
where: short stacking energy: -481.293
Base-Backbone interact. energy: 2.992
local terms energy: -457.298721
where:
bonds (distance) C4'-P energy: -83.672
bonds (distance) P-C4' energy: -87.205
flat angles C4'-P-C4' energy: -96.738
flat angles P-C4'-P energy: -64.209
tors. eta vs tors. theta energy: -125.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1503.540634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.540634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.540634 (E_RNA)
where:
Base-Base interactions energy: -1034.690
where: short stacking energy: -448.753
Base-Backbone interact. energy: 0.976
local terms energy: -469.827240
where:
bonds (distance) C4'-P energy: -82.956
bonds (distance) P-C4' energy: -88.701
flat angles C4'-P-C4' energy: -107.348
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: -121.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1437.864683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.864683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.864683 (E_RNA)
where:
Base-Base interactions energy: -995.758
where: short stacking energy: -430.244
Base-Backbone interact. energy: -0.329
local terms energy: -441.778459
where:
bonds (distance) C4'-P energy: -72.485
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -89.204
flat angles P-C4'-P energy: -60.983
tors. eta vs tors. theta energy: -125.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1264.915495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.915495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.915495 (E_RNA)
where:
Base-Base interactions energy: -825.865
where: short stacking energy: -391.704
Base-Backbone interact. energy: 1.946
local terms energy: -440.997012
where:
bonds (distance) C4'-P energy: -82.729
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -106.210
flat angles P-C4'-P energy: -50.732
tors. eta vs tors. theta energy: -112.573
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1188.479312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.479312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.479312 (E_RNA)
where:
Base-Base interactions energy: -804.674
where: short stacking energy: -377.451
Base-Backbone interact. energy: -0.206
local terms energy: -383.599474
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -70.296
flat angles C4'-P-C4' energy: -89.249
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -103.731
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: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1072.216115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.216115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.216115 (E_RNA)
where:
Base-Base interactions energy: -681.550
where: short stacking energy: -311.323
Base-Backbone interact. energy: -2.231
local terms energy: -388.435021
where:
bonds (distance) C4'-P energy: -71.537
bonds (distance) P-C4' energy: -93.984
flat angles C4'-P-C4' energy: -84.325
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -82.820
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: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -880.531920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.531920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.531920 (E_RNA)
where:
Base-Base interactions energy: -588.892
where: short stacking energy: -287.934
Base-Backbone interact. energy: -2.891
local terms energy: -288.748964
where:
bonds (distance) C4'-P energy: -60.293
bonds (distance) P-C4' energy: -60.494
flat angles C4'-P-C4' energy: -71.020
flat angles P-C4'-P energy: -50.388
tors. eta vs tors. theta energy: -46.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -731.527358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.527358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.527358 (E_RNA)
where:
Base-Base interactions energy: -427.580
where: short stacking energy: -225.576
Base-Backbone interact. energy: -0.675
local terms energy: -303.272331
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -72.547
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -51.371
tors. eta vs tors. theta energy: -38.401
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: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -524.256112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.256112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.256112 (E_RNA)
where:
Base-Base interactions energy: -264.263
where: short stacking energy: -152.739
Base-Backbone interact. energy: -2.351
local terms energy: -257.642060
where:
bonds (distance) C4'-P energy: -74.840
bonds (distance) P-C4' energy: -85.898
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -8.287
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1641.892203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.892203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.892203 (E_RNA)
where:
Base-Base interactions energy: -1151.454
where: short stacking energy: -531.114
Base-Backbone interact. energy: -3.419
local terms energy: -487.018753
where:
bonds (distance) C4'-P energy: -73.174
bonds (distance) P-C4' energy: -86.629
flat angles C4'-P-C4' energy: -103.928
flat angles P-C4'-P energy: -72.983
tors. eta vs tors. theta energy: -150.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1591.355087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.355087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.355087 (E_RNA)
where:
Base-Base interactions energy: -1115.240
where: short stacking energy: -487.262
Base-Backbone interact. energy: -3.455
local terms energy: -472.659618
where:
bonds (distance) C4'-P energy: -92.040
bonds (distance) P-C4' energy: -88.489
flat angles C4'-P-C4' energy: -102.888
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -127.694
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1474.847353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.847353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.847353 (E_RNA)
where:
Base-Base interactions energy: -1019.619
where: short stacking energy: -449.614
Base-Backbone interact. energy: -1.187
local terms energy: -454.040882
where:
bonds (distance) C4'-P energy: -72.397
bonds (distance) P-C4' energy: -95.628
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -72.227
tors. eta vs tors. theta energy: -123.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1410.235152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.235152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.235152 (E_RNA)
where:
Base-Base interactions energy: -956.125
where: short stacking energy: -420.338
Base-Backbone interact. energy: -2.211
local terms energy: -451.899455
where:
bonds (distance) C4'-P energy: -85.860
bonds (distance) P-C4' energy: -93.386
flat angles C4'-P-C4' energy: -91.315
flat angles P-C4'-P energy: -58.560
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: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1251.413503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.413503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.413503 (E_RNA)
where:
Base-Base interactions energy: -831.073
where: short stacking energy: -397.562
Base-Backbone interact. energy: -0.596
local terms energy: -419.745336
where:
bonds (distance) C4'-P energy: -82.536
bonds (distance) P-C4' energy: -83.531
flat angles C4'-P-C4' energy: -95.031
flat angles P-C4'-P energy: -51.917
tors. eta vs tors. theta energy: -106.730
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1166.730688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.730688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.730688 (E_RNA)
where:
Base-Base interactions energy: -764.537
where: short stacking energy: -353.119
Base-Backbone interact. energy: 3.230
local terms energy: -405.423721
where:
bonds (distance) C4'-P energy: -83.655
bonds (distance) P-C4' energy: -77.476
flat angles C4'-P-C4' energy: -90.148
flat angles P-C4'-P energy: -61.665
tors. eta vs tors. theta energy: -92.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1100.650926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.650926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.650926 (E_RNA)
where:
Base-Base interactions energy: -717.730
where: short stacking energy: -322.848
Base-Backbone interact. energy: 2.156
local terms energy: -385.077178
where:
bonds (distance) C4'-P energy: -71.561
bonds (distance) P-C4' energy: -81.822
flat angles C4'-P-C4' energy: -79.536
flat angles P-C4'-P energy: -58.974
tors. eta vs tors. theta energy: -93.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -903.126470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.126470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.126470 (E_RNA)
where:
Base-Base interactions energy: -581.613
where: short stacking energy: -280.370
Base-Backbone interact. energy: -0.209
local terms energy: -321.304923
where:
bonds (distance) C4'-P energy: -71.082
bonds (distance) P-C4' energy: -75.860
flat angles C4'-P-C4' energy: -70.378
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -51.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -728.351055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.351055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.351055 (E_RNA)
where:
Base-Base interactions energy: -410.353
where: short stacking energy: -202.964
Base-Backbone interact. energy: 0.880
local terms energy: -318.878440
where:
bonds (distance) C4'-P energy: -89.364
bonds (distance) P-C4' energy: -70.547
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -537.541669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.541669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.541669 (E_RNA)
where:
Base-Base interactions energy: -278.457
where: short stacking energy: -144.341
Base-Backbone interact. energy: -4.176
local terms energy: -254.908723
where:
bonds (distance) C4'-P energy: -64.017
bonds (distance) P-C4' energy: -83.249
flat angles C4'-P-C4' energy: -59.919
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1618.484761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.484761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.484761 (E_RNA)
where:
Base-Base interactions energy: -1109.596
where: short stacking energy: -493.068
Base-Backbone interact. energy: -2.139
local terms energy: -506.749307
where:
bonds (distance) C4'-P energy: -83.503
bonds (distance) P-C4' energy: -94.693
flat angles C4'-P-C4' energy: -107.583
flat angles P-C4'-P energy: -84.957
tors. eta vs tors. theta energy: -136.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1601.150338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.150338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.150338 (E_RNA)
where:
Base-Base interactions energy: -1116.736
where: short stacking energy: -474.150
Base-Backbone interact. energy: -2.449
local terms energy: -481.965381
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -87.632
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -132.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1514.343802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.343802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.343802 (E_RNA)
where:
Base-Base interactions energy: -1040.845
where: short stacking energy: -476.987
Base-Backbone interact. energy: -1.602
local terms energy: -471.896424
where:
bonds (distance) C4'-P energy: -81.501
bonds (distance) P-C4' energy: -93.122
flat angles C4'-P-C4' energy: -92.209
flat angles P-C4'-P energy: -70.876
tors. eta vs tors. theta energy: -134.188
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: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1384.999053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.999053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.999053 (E_RNA)
where:
Base-Base interactions energy: -940.601
where: short stacking energy: -432.997
Base-Backbone interact. energy: -3.343
local terms energy: -441.054581
where:
bonds (distance) C4'-P energy: -81.342
bonds (distance) P-C4' energy: -90.488
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -47.321
tors. eta vs tors. theta energy: -120.565
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1280.236810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.236810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.236810 (E_RNA)
where:
Base-Base interactions energy: -841.019
where: short stacking energy: -386.256
Base-Backbone interact. energy: -0.592
local terms energy: -438.626130
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -98.794
flat angles P-C4'-P energy: -65.124
tors. eta vs tors. theta energy: -106.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1190.677994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.677994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.677994 (E_RNA)
where:
Base-Base interactions energy: -785.778
where: short stacking energy: -363.692
Base-Backbone interact. energy: -0.775
local terms energy: -404.124855
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -87.681
flat angles P-C4'-P energy: -55.098
tors. eta vs tors. theta energy: -97.354
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1101.694992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.694992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.694992 (E_RNA)
where:
Base-Base interactions energy: -731.573
where: short stacking energy: -333.458
Base-Backbone interact. energy: -0.485
local terms energy: -369.636132
where:
bonds (distance) C4'-P energy: -81.549
bonds (distance) P-C4' energy: -86.889
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -80.014
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: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -876.474249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.474249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.474249 (E_RNA)
where:
Base-Base interactions energy: -560.105
where: short stacking energy: -256.850
Base-Backbone interact. energy: 1.023
local terms energy: -317.392018
where:
bonds (distance) C4'-P energy: -73.789
bonds (distance) P-C4' energy: -80.734
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -45.159
tors. eta vs tors. theta energy: -40.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -698.174668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.174668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.174668 (E_RNA)
where:
Base-Base interactions energy: -393.049
where: short stacking energy: -182.540
Base-Backbone interact. energy: 0.884
local terms energy: -306.009158
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -65.237
flat angles C4'-P-C4' energy: -77.772
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: -31.445
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -579.565062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.565062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.565062 (E_RNA)
where:
Base-Base interactions energy: -314.882
where: short stacking energy: -165.603
Base-Backbone interact. energy: 7.079
local terms energy: -271.762479
where:
bonds (distance) C4'-P energy: -85.617
bonds (distance) P-C4' energy: -80.006
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1638.753057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.753057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.753057 (E_RNA)
where:
Base-Base interactions energy: -1115.167
where: short stacking energy: -501.595
Base-Backbone interact. energy: -1.032
local terms energy: -522.553882
where:
bonds (distance) C4'-P energy: -96.533
bonds (distance) P-C4' energy: -93.257
flat angles C4'-P-C4' energy: -112.128
flat angles P-C4'-P energy: -80.063
tors. eta vs tors. theta energy: -140.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1579.882611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.882611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.882611 (E_RNA)
where:
Base-Base interactions energy: -1102.886
where: short stacking energy: -481.854
Base-Backbone interact. energy: -2.103
local terms energy: -474.894204
where:
bonds (distance) C4'-P energy: -83.672
bonds (distance) P-C4' energy: -97.423
flat angles C4'-P-C4' energy: -94.699
flat angles P-C4'-P energy: -71.228
tors. eta vs tors. theta energy: -127.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1486.665849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.665849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.665849 (E_RNA)
where:
Base-Base interactions energy: -1013.738
where: short stacking energy: -447.694
Base-Backbone interact. energy: 0.713
local terms energy: -473.640922
where:
bonds (distance) C4'-P energy: -89.512
bonds (distance) P-C4' energy: -90.373
flat angles C4'-P-C4' energy: -97.291
flat angles P-C4'-P energy: -65.311
tors. eta vs tors. theta energy: -131.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1371.375947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.375947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.375947 (E_RNA)
where:
Base-Base interactions energy: -920.193
where: short stacking energy: -408.030
Base-Backbone interact. energy: -0.294
local terms energy: -450.888960
where:
bonds (distance) C4'-P energy: -86.581
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -94.420
flat angles P-C4'-P energy: -62.276
tors. eta vs tors. theta energy: -118.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1235.550377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.550377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.550377 (E_RNA)
where:
Base-Base interactions energy: -822.907
where: short stacking energy: -376.981
Base-Backbone interact. energy: -1.600
local terms energy: -411.043398
where:
bonds (distance) C4'-P energy: -81.440
bonds (distance) P-C4' energy: -81.659
flat angles C4'-P-C4' energy: -105.094
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: -89.927
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: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1196.578003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.578003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.578003 (E_RNA)
where:
Base-Base interactions energy: -788.727
where: short stacking energy: -378.202
Base-Backbone interact. energy: -2.592
local terms energy: -405.258341
where:
bonds (distance) C4'-P energy: -83.102
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -98.776
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -96.189
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1090.500903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.500903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.500903 (E_RNA)
where:
Base-Base interactions energy: -738.788
where: short stacking energy: -341.378
Base-Backbone interact. energy: -0.846
local terms energy: -350.867007
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -68.701
flat angles C4'-P-C4' energy: -89.378
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -905.061412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.061412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.061412 (E_RNA)
where:
Base-Base interactions energy: -596.000
where: short stacking energy: -264.015
Base-Backbone interact. energy: -1.445
local terms energy: -307.616436
where:
bonds (distance) C4'-P energy: -71.282
bonds (distance) P-C4' energy: -63.777
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -42.912
tors. eta vs tors. theta energy: -51.341
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: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -739.904432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.904432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.904432 (E_RNA)
where:
Base-Base interactions energy: -429.101
where: short stacking energy: -209.720
Base-Backbone interact. energy: -0.501
local terms energy: -310.301764
where:
bonds (distance) C4'-P energy: -83.146
bonds (distance) P-C4' energy: -70.025
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -27.123
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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -514.959810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.959810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.959810 (E_RNA)
where:
Base-Base interactions energy: -271.691
where: short stacking energy: -148.763
Base-Backbone interact. energy: 2.788
local terms energy: -246.056572
where:
bonds (distance) C4'-P energy: -69.958
bonds (distance) P-C4' energy: -68.284
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1650.549953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.549953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.549953 (E_RNA)
where:
Base-Base interactions energy: -1127.153
where: short stacking energy: -491.529
Base-Backbone interact. energy: -1.275
local terms energy: -522.121850
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -101.064
flat angles C4'-P-C4' energy: -104.516
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: -147.724
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: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1579.173060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.173060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.173060 (E_RNA)
where:
Base-Base interactions energy: -1108.190
where: short stacking energy: -476.842
Base-Backbone interact. energy: 0.924
local terms energy: -471.907110
where:
bonds (distance) C4'-P energy: -77.585
bonds (distance) P-C4' energy: -96.980
flat angles C4'-P-C4' energy: -96.380
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -126.078
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: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1484.712230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.712230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.712230 (E_RNA)
where:
Base-Base interactions energy: -1025.545
where: short stacking energy: -456.065
Base-Backbone interact. energy: -2.345
local terms energy: -456.821634
where:
bonds (distance) C4'-P energy: -96.002
bonds (distance) P-C4' energy: -81.649
flat angles C4'-P-C4' energy: -97.177
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -126.814
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: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1369.217384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.217384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.217384 (E_RNA)
where:
Base-Base interactions energy: -905.024
where: short stacking energy: -411.964
Base-Backbone interact. energy: 1.101
local terms energy: -465.295192
where:
bonds (distance) C4'-P energy: -84.279
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -107.185
flat angles P-C4'-P energy: -65.049
tors. eta vs tors. theta energy: -117.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1268.825817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.825817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.825817 (E_RNA)
where:
Base-Base interactions energy: -863.069
where: short stacking energy: -404.414
Base-Backbone interact. energy: -2.011
local terms energy: -403.746717
where:
bonds (distance) C4'-P energy: -71.276
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -86.073
flat angles P-C4'-P energy: -65.895
tors. eta vs tors. theta energy: -102.691
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: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1186.990764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.990764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.990764 (E_RNA)
where:
Base-Base interactions energy: -785.404
where: short stacking energy: -371.411
Base-Backbone interact. energy: 0.315
local terms energy: -401.901645
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -88.156
flat angles C4'-P-C4' energy: -83.498
flat angles P-C4'-P energy: -62.380
tors. eta vs tors. theta energy: -100.203
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: 139
Temperature: 1.200000
Total energy: -1132.072379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.072379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.072379 (E_RNA)
where:
Base-Base interactions energy: -754.602
where: short stacking energy: -327.019
Base-Backbone interact. energy: 2.625
local terms energy: -380.095374
where:
bonds (distance) C4'-P energy: -72.807
bonds (distance) P-C4' energy: -95.265
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -84.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -930.756552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.756552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.756552 (E_RNA)
where:
Base-Base interactions energy: -627.422
where: short stacking energy: -256.308
Base-Backbone interact. energy: -1.308
local terms energy: -302.026862
where:
bonds (distance) C4'-P energy: -72.523
bonds (distance) P-C4' energy: -90.667
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -37.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -770.344089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.344089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.344089 (E_RNA)
where:
Base-Base interactions energy: -457.173
where: short stacking energy: -239.738
Base-Backbone interact. energy: -0.121
local terms energy: -313.050770
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -79.867
flat angles C4'-P-C4' energy: -69.606
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -37.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -507.512633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.512633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.512633 (E_RNA)
where:
Base-Base interactions energy: -265.104
where: short stacking energy: -162.386
Base-Backbone interact. energy: 0.483
local terms energy: -242.891780
where:
bonds (distance) C4'-P energy: -69.083
bonds (distance) P-C4' energy: -80.755
flat angles C4'-P-C4' energy: -53.786
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1612.217718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.217718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.217718 (E_RNA)
where:
Base-Base interactions energy: -1116.788
where: short stacking energy: -496.051
Base-Backbone interact. energy: 0.023
local terms energy: -495.452375
where:
bonds (distance) C4'-P energy: -93.553
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -106.733
flat angles P-C4'-P energy: -65.717
tors. eta vs tors. theta energy: -140.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1576.986368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.986368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.986368 (E_RNA)
where:
Base-Base interactions energy: -1094.562
where: short stacking energy: -458.780
Base-Backbone interact. energy: -4.312
local terms energy: -478.112578
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -90.427
flat angles C4'-P-C4' energy: -99.300
flat angles P-C4'-P energy: -72.113
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: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1457.125172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.125172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.125172 (E_RNA)
where:
Base-Base interactions energy: -1000.428
where: short stacking energy: -425.340
Base-Backbone interact. energy: -3.475
local terms energy: -453.222158
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -98.770
flat angles C4'-P-C4' energy: -93.873
flat angles P-C4'-P energy: -58.753
tors. eta vs tors. theta energy: -112.550
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1351.763160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.763160 (E_RNA)
where:
Base-Base interactions energy: -905.658
where: short stacking energy: -421.698
Base-Backbone interact. energy: -1.651
local terms energy: -444.454742
where:
bonds (distance) C4'-P energy: -73.948
bonds (distance) P-C4' energy: -84.710
flat angles C4'-P-C4' energy: -92.437
flat angles P-C4'-P energy: -69.544
tors. eta vs tors. theta energy: -123.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1216.185718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.185718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.185718 (E_RNA)
where:
Base-Base interactions energy: -794.055
where: short stacking energy: -366.188
Base-Backbone interact. energy: -1.382
local terms energy: -420.748640
where:
bonds (distance) C4'-P energy: -79.237
bonds (distance) P-C4' energy: -95.022
flat angles C4'-P-C4' energy: -89.269
flat angles P-C4'-P energy: -50.624
tors. eta vs tors. theta energy: -106.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1139.294324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.294324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.294324 (E_RNA)
where:
Base-Base interactions energy: -774.779
where: short stacking energy: -375.685
Base-Backbone interact. energy: 1.112
local terms energy: -365.627587
where:
bonds (distance) C4'-P energy: -72.279
bonds (distance) P-C4' energy: -81.169
flat angles C4'-P-C4' energy: -85.091
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -87.024
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1100.343691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.343691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.343691 (E_RNA)
where:
Base-Base interactions energy: -740.521
where: short stacking energy: -356.966
Base-Backbone interact. energy: -0.710
local terms energy: -359.111842
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -77.285
flat angles C4'-P-C4' energy: -87.241
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -77.759
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: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -826.761773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.761773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.761773 (E_RNA)
where:
Base-Base interactions energy: -515.257
where: short stacking energy: -236.013
Base-Backbone interact. energy: -0.999
local terms energy: -310.506360
where:
bonds (distance) C4'-P energy: -80.912
bonds (distance) P-C4' energy: -76.551
flat angles C4'-P-C4' energy: -77.094
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -41.545
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: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -707.734113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.734113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.734113 (E_RNA)
where:
Base-Base interactions energy: -414.939
where: short stacking energy: -220.562
Base-Backbone interact. energy: 2.325
local terms energy: -295.120185
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -32.274
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: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -569.694245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.694245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.694245 (E_RNA)
where:
Base-Base interactions energy: -283.271
where: short stacking energy: -187.076
Base-Backbone interact. energy: 0.296
local terms energy: -286.719560
where:
bonds (distance) C4'-P energy: -75.288
bonds (distance) P-C4' energy: -78.718
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1624.661816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.661816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.661816 (E_RNA)
where:
Base-Base interactions energy: -1114.869
where: short stacking energy: -509.312
Base-Backbone interact. energy: -1.597
local terms energy: -508.195476
where:
bonds (distance) C4'-P energy: -86.654
bonds (distance) P-C4' energy: -93.497
flat angles C4'-P-C4' energy: -107.009
flat angles P-C4'-P energy: -75.217
tors. eta vs tors. theta energy: -145.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1545.220653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.220653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.220653 (E_RNA)
where:
Base-Base interactions energy: -1078.809
where: short stacking energy: -453.821
Base-Backbone interact. energy: -2.403
local terms energy: -464.008687
where:
bonds (distance) C4'-P energy: -90.763
bonds (distance) P-C4' energy: -89.840
flat angles C4'-P-C4' energy: -97.779
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -120.563
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: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1451.092903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.092903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.092903 (E_RNA)
where:
Base-Base interactions energy: -1024.723
where: short stacking energy: -441.714
Base-Backbone interact. energy: -2.169
local terms energy: -424.201084
where:
bonds (distance) C4'-P energy: -73.764
bonds (distance) P-C4' energy: -79.284
flat angles C4'-P-C4' energy: -98.524
flat angles P-C4'-P energy: -59.188
tors. eta vs tors. theta energy: -113.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1375.719704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.719704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.719704 (E_RNA)
where:
Base-Base interactions energy: -931.727
where: short stacking energy: -420.257
Base-Backbone interact. energy: 0.432
local terms energy: -444.424122
where:
bonds (distance) C4'-P energy: -83.660
bonds (distance) P-C4' energy: -82.807
flat angles C4'-P-C4' energy: -97.516
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -119.553
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: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1237.096362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.096362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.096362 (E_RNA)
where:
Base-Base interactions energy: -800.994
where: short stacking energy: -385.604
Base-Backbone interact. energy: -0.462
local terms energy: -435.641039
where:
bonds (distance) C4'-P energy: -78.371
bonds (distance) P-C4' energy: -100.553
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -57.235
tors. eta vs tors. theta energy: -97.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1201.064062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.064062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.064062 (E_RNA)
where:
Base-Base interactions energy: -852.824
where: short stacking energy: -368.463
Base-Backbone interact. energy: -2.277
local terms energy: -345.963395
where:
bonds (distance) C4'-P energy: -75.516
bonds (distance) P-C4' energy: -59.360
flat angles C4'-P-C4' energy: -80.438
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -86.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1133.942903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.942903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.942903 (E_RNA)
where:
Base-Base interactions energy: -734.959
where: short stacking energy: -333.191
Base-Backbone interact. energy: -0.959
local terms energy: -398.024304
where:
bonds (distance) C4'-P energy: -83.256
bonds (distance) P-C4' energy: -78.923
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -53.436
tors. eta vs tors. theta energy: -88.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -865.753380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.753380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.753380 (E_RNA)
where:
Base-Base interactions energy: -549.927
where: short stacking energy: -256.733
Base-Backbone interact. energy: -1.232
local terms energy: -314.594045
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -77.626
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -42.650
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -701.261744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.261744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.261744 (E_RNA)
where:
Base-Base interactions energy: -394.078
where: short stacking energy: -175.915
Base-Backbone interact. energy: -1.843
local terms energy: -305.340395
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -81.105
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -51.407
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -471.338367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.338367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.338367 (E_RNA)
where:
Base-Base interactions energy: -236.821
where: short stacking energy: -149.118
Base-Backbone interact. energy: -1.513
local terms energy: -233.003985
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -80.898
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: 2.650
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: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1665.659245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.659245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.659245 (E_RNA)
where:
Base-Base interactions energy: -1143.082
where: short stacking energy: -526.092
Base-Backbone interact. energy: -1.591
local terms energy: -520.986440
where:
bonds (distance) C4'-P energy: -94.735
bonds (distance) P-C4' energy: -99.691
flat angles C4'-P-C4' energy: -110.447
flat angles P-C4'-P energy: -70.652
tors. eta vs tors. theta energy: -145.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1555.756428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.756428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.756428 (E_RNA)
where:
Base-Base interactions energy: -1081.881
where: short stacking energy: -447.836
Base-Backbone interact. energy: -2.833
local terms energy: -471.042165
where:
bonds (distance) C4'-P energy: -84.015
bonds (distance) P-C4' energy: -91.919
flat angles C4'-P-C4' energy: -94.585
flat angles P-C4'-P energy: -75.601
tors. eta vs tors. theta energy: -124.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1445.571215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.571215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.571215 (E_RNA)
where:
Base-Base interactions energy: -968.959
where: short stacking energy: -441.761
Base-Backbone interact. energy: -1.678
local terms energy: -474.934143
where:
bonds (distance) C4'-P energy: -84.265
bonds (distance) P-C4' energy: -97.462
flat angles C4'-P-C4' energy: -110.845
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -118.850
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: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1413.986452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.986452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.986452 (E_RNA)
where:
Base-Base interactions energy: -957.250
where: short stacking energy: -405.394
Base-Backbone interact. energy: -0.848
local terms energy: -455.888477
where:
bonds (distance) C4'-P energy: -81.737
bonds (distance) P-C4' energy: -93.484
flat angles C4'-P-C4' energy: -102.048
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -110.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1261.148288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.148288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.148288 (E_RNA)
where:
Base-Base interactions energy: -840.117
where: short stacking energy: -385.758
Base-Backbone interact. energy: -0.432
local terms energy: -420.599550
where:
bonds (distance) C4'-P energy: -81.325
bonds (distance) P-C4' energy: -74.690
flat angles C4'-P-C4' energy: -89.343
flat angles P-C4'-P energy: -59.307
tors. eta vs tors. theta energy: -115.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1216.232026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.232026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.232026 (E_RNA)
where:
Base-Base interactions energy: -821.169
where: short stacking energy: -368.930
Base-Backbone interact. energy: -1.574
local terms energy: -393.489514
where:
bonds (distance) C4'-P energy: -69.322
bonds (distance) P-C4' energy: -84.800
flat angles C4'-P-C4' energy: -91.553
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -90.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1193.240862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.240862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.240862 (E_RNA)
where:
Base-Base interactions energy: -784.557
where: short stacking energy: -374.050
Base-Backbone interact. energy: 3.000
local terms energy: -411.684173
where:
bonds (distance) C4'-P energy: -73.952
bonds (distance) P-C4' energy: -86.023
flat angles C4'-P-C4' energy: -94.998
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -104.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -861.689594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.689594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.689594 (E_RNA)
where:
Base-Base interactions energy: -533.771
where: short stacking energy: -265.427
Base-Backbone interact. energy: -2.278
local terms energy: -325.640376
where:
bonds (distance) C4'-P energy: -63.303
bonds (distance) P-C4' energy: -85.005
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -41.750
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -755.734780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.734780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.734780 (E_RNA)
where:
Base-Base interactions energy: -479.181
where: short stacking energy: -239.125
Base-Backbone interact. energy: -0.448
local terms energy: -276.105527
where:
bonds (distance) C4'-P energy: -69.929
bonds (distance) P-C4' energy: -82.594
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -38.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -526.417152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.417152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.417152 (E_RNA)
where:
Base-Base interactions energy: -272.256
where: short stacking energy: -156.771
Base-Backbone interact. energy: 0.894
local terms energy: -255.054884
where:
bonds (distance) C4'-P energy: -72.662
bonds (distance) P-C4' energy: -72.552
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1634.335631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.335631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.335631 (E_RNA)
where:
Base-Base interactions energy: -1117.410
where: short stacking energy: -514.801
Base-Backbone interact. energy: -0.374
local terms energy: -516.552204
where:
bonds (distance) C4'-P energy: -88.198
bonds (distance) P-C4' energy: -100.580
flat angles C4'-P-C4' energy: -110.037
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -143.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1593.623401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.623401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.623401 (E_RNA)
where:
Base-Base interactions energy: -1126.601
where: short stacking energy: -457.526
Base-Backbone interact. energy: -4.526
local terms energy: -462.497348
where:
bonds (distance) C4'-P energy: -77.948
bonds (distance) P-C4' energy: -91.624
flat angles C4'-P-C4' energy: -103.412
flat angles P-C4'-P energy: -64.473
tors. eta vs tors. theta energy: -125.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1455.050616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.050616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.050616 (E_RNA)
where:
Base-Base interactions energy: -986.443
where: short stacking energy: -444.010
Base-Backbone interact. energy: -1.866
local terms energy: -466.741457
where:
bonds (distance) C4'-P energy: -85.036
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -95.973
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -135.997
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: 143
Temperature: 1.050000
Total energy: -1396.565735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.565735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.565735 (E_RNA)
where:
Base-Base interactions energy: -974.939
where: short stacking energy: -404.465
Base-Backbone interact. energy: -3.709
local terms energy: -417.917815
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -97.371
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: -108.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1291.698193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.698193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.698193 (E_RNA)
where:
Base-Base interactions energy: -860.789
where: short stacking energy: -397.915
Base-Backbone interact. energy: -3.191
local terms energy: -427.717574
where:
bonds (distance) C4'-P energy: -91.673
bonds (distance) P-C4' energy: -94.892
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -112.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1220.014217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.014217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.014217 (E_RNA)
where:
Base-Base interactions energy: -807.101
where: short stacking energy: -379.967
Base-Backbone interact. energy: 0.006
local terms energy: -412.919140
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -86.118
flat angles C4'-P-C4' energy: -79.607
flat angles P-C4'-P energy: -65.842
tors. eta vs tors. theta energy: -98.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1136.884309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.884309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.884309 (E_RNA)
where:
Base-Base interactions energy: -777.712
where: short stacking energy: -353.096
Base-Backbone interact. energy: -2.430
local terms energy: -356.741760
where:
bonds (distance) C4'-P energy: -72.723
bonds (distance) P-C4' energy: -76.361
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -80.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -952.213276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.213276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.213276 (E_RNA)
where:
Base-Base interactions energy: -627.354
where: short stacking energy: -294.604
Base-Backbone interact. energy: -3.130
local terms energy: -321.729168
where:
bonds (distance) C4'-P energy: -77.251
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -92.781
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -54.765
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: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -752.628484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.628484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.628484 (E_RNA)
where:
Base-Base interactions energy: -441.472
where: short stacking energy: -223.381
Base-Backbone interact. energy: -0.234
local terms energy: -310.922245
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -83.244
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -18.143
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: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -524.792478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.792478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.792478 (E_RNA)
where:
Base-Base interactions energy: -288.279
where: short stacking energy: -179.327
Base-Backbone interact. energy: -0.977
local terms energy: -235.536493
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -72.658
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1642.089215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.089215 (E_RNA)
where:
Base-Base interactions energy: -1139.003
where: short stacking energy: -512.429
Base-Backbone interact. energy: -1.820
local terms energy: -501.265917
where:
bonds (distance) C4'-P energy: -88.267
bonds (distance) P-C4' energy: -97.535
flat angles C4'-P-C4' energy: -97.772
flat angles P-C4'-P energy: -74.171
tors. eta vs tors. theta energy: -143.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1573.573413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.573413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.573413 (E_RNA)
where:
Base-Base interactions energy: -1086.370
where: short stacking energy: -455.044
Base-Backbone interact. energy: -3.858
local terms energy: -483.345573
where:
bonds (distance) C4'-P energy: -92.160
bonds (distance) P-C4' energy: -95.406
flat angles C4'-P-C4' energy: -98.566
flat angles P-C4'-P energy: -61.723
tors. eta vs tors. theta energy: -135.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1491.419837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.419837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.419837 (E_RNA)
where:
Base-Base interactions energy: -1025.666
where: short stacking energy: -468.800
Base-Backbone interact. energy: -0.983
local terms energy: -464.770950
where:
bonds (distance) C4'-P energy: -90.655
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -94.084
flat angles P-C4'-P energy: -73.929
tors. eta vs tors. theta energy: -115.918
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1440.291955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.291955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.291955 (E_RNA)
where:
Base-Base interactions energy: -962.516
where: short stacking energy: -451.243
Base-Backbone interact. energy: 0.736
local terms energy: -478.512079
where:
bonds (distance) C4'-P energy: -89.677
bonds (distance) P-C4' energy: -83.074
flat angles C4'-P-C4' energy: -102.433
flat angles P-C4'-P energy: -72.157
tors. eta vs tors. theta energy: -131.172
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: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1248.319176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.319176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.319176 (E_RNA)
where:
Base-Base interactions energy: -836.189
where: short stacking energy: -394.163
Base-Backbone interact. energy: 0.698
local terms energy: -412.827548
where:
bonds (distance) C4'-P energy: -83.464
bonds (distance) P-C4' energy: -83.832
flat angles C4'-P-C4' energy: -95.916
flat angles P-C4'-P energy: -58.485
tors. eta vs tors. theta energy: -91.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1209.550082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.550082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.550082 (E_RNA)
where:
Base-Base interactions energy: -814.275
where: short stacking energy: -364.326
Base-Backbone interact. energy: 0.021
local terms energy: -395.296224
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -87.244
flat angles C4'-P-C4' energy: -90.189
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -93.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1103.866408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.866408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.866408 (E_RNA)
where:
Base-Base interactions energy: -720.020
where: short stacking energy: -304.737
Base-Backbone interact. energy: -2.424
local terms energy: -381.422428
where:
bonds (distance) C4'-P energy: -77.706
bonds (distance) P-C4' energy: -83.852
flat angles C4'-P-C4' energy: -90.334
flat angles P-C4'-P energy: -61.031
tors. eta vs tors. theta energy: -68.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -963.941405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.941405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.941405 (E_RNA)
where:
Base-Base interactions energy: -621.252
where: short stacking energy: -290.078
Base-Backbone interact. energy: -0.597
local terms energy: -342.092919
where:
bonds (distance) C4'-P energy: -69.916
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -59.321
tors. eta vs tors. theta energy: -60.949
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -700.007339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.007339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.007339 (E_RNA)
where:
Base-Base interactions energy: -403.801
where: short stacking energy: -208.488
Base-Backbone interact. energy: -2.078
local terms energy: -294.128211
where:
bonds (distance) C4'-P energy: -87.995
bonds (distance) P-C4' energy: -66.244
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -28.357
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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -585.263820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.263820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.263820 (E_RNA)
where:
Base-Base interactions energy: -290.733
where: short stacking energy: -159.879
Base-Backbone interact. energy: -1.789
local terms energy: -292.741358
where:
bonds (distance) C4'-P energy: -71.564
bonds (distance) P-C4' energy: -87.455
flat angles C4'-P-C4' energy: -73.366
flat angles P-C4'-P energy: -45.859
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1634.063376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.063376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.063376 (E_RNA)
where:
Base-Base interactions energy: -1122.945
where: short stacking energy: -520.133
Base-Backbone interact. energy: -3.198
local terms energy: -507.921121
where:
bonds (distance) C4'-P energy: -94.656
bonds (distance) P-C4' energy: -92.161
flat angles C4'-P-C4' energy: -112.268
flat angles P-C4'-P energy: -63.283
tors. eta vs tors. theta energy: -145.552
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: 145
Temperature: 0.950000
Total energy: -1568.090685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.090685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.090685 (E_RNA)
where:
Base-Base interactions energy: -1095.314
where: short stacking energy: -463.397
Base-Backbone interact. energy: -1.588
local terms energy: -471.189568
where:
bonds (distance) C4'-P energy: -91.070
bonds (distance) P-C4' energy: -92.575
flat angles C4'-P-C4' energy: -100.539
flat angles P-C4'-P energy: -59.397
tors. eta vs tors. theta energy: -127.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1500.952443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.952443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.952443 (E_RNA)
where:
Base-Base interactions energy: -1020.627
where: short stacking energy: -469.621
Base-Backbone interact. energy: -1.830
local terms energy: -478.495471
where:
bonds (distance) C4'-P energy: -94.357
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -104.512
flat angles P-C4'-P energy: -55.822
tors. eta vs tors. theta energy: -133.274
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: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1443.703462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.703462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.703462 (E_RNA)
where:
Base-Base interactions energy: -962.210
where: short stacking energy: -442.333
Base-Backbone interact. energy: -2.991
local terms energy: -478.502588
where:
bonds (distance) C4'-P energy: -76.509
bonds (distance) P-C4' energy: -92.194
flat angles C4'-P-C4' energy: -105.568
flat angles P-C4'-P energy: -72.177
tors. eta vs tors. theta energy: -132.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1281.692509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.692509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.692509 (E_RNA)
where:
Base-Base interactions energy: -859.132
where: short stacking energy: -406.721
Base-Backbone interact. energy: -2.124
local terms energy: -420.436496
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -95.095
flat angles P-C4'-P energy: -59.673
tors. eta vs tors. theta energy: -107.802
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: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1201.121848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.121848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.121848 (E_RNA)
where:
Base-Base interactions energy: -789.800
where: short stacking energy: -359.940
Base-Backbone interact. energy: -1.244
local terms energy: -410.077519
where:
bonds (distance) C4'-P energy: -88.242
bonds (distance) P-C4' energy: -86.978
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -57.638
tors. eta vs tors. theta energy: -94.323
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: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1110.337671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.337671 (E_RNA)
where:
Base-Base interactions energy: -709.408
where: short stacking energy: -341.470
Base-Backbone interact. energy: -1.803
local terms energy: -399.127093
where:
bonds (distance) C4'-P energy: -79.306
bonds (distance) P-C4' energy: -91.708
flat angles C4'-P-C4' energy: -90.376
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -85.966
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: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -913.357347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.357347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.357347 (E_RNA)
where:
Base-Base interactions energy: -612.166
where: short stacking energy: -282.666
Base-Backbone interact. energy: 0.353
local terms energy: -301.544156
where:
bonds (distance) C4'-P energy: -56.452
bonds (distance) P-C4' energy: -67.519
flat angles C4'-P-C4' energy: -76.155
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -48.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -676.820789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.820789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.820789 (E_RNA)
where:
Base-Base interactions energy: -393.166
where: short stacking energy: -199.426
Base-Backbone interact. energy: -1.386
local terms energy: -282.268582
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -70.473
flat angles C4'-P-C4' energy: -76.300
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -558.340155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.340155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.340155 (E_RNA)
where:
Base-Base interactions energy: -299.549
where: short stacking energy: -186.404
Base-Backbone interact. energy: 8.110
local terms energy: -266.901515
where:
bonds (distance) C4'-P energy: -73.709
bonds (distance) P-C4' energy: -78.841
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -25.066
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: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1645.086535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.086535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.086535 (E_RNA)
where:
Base-Base interactions energy: -1125.216
where: short stacking energy: -518.660
Base-Backbone interact. energy: -2.487
local terms energy: -517.383495
where:
bonds (distance) C4'-P energy: -90.419
bonds (distance) P-C4' energy: -97.176
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -73.816
tors. eta vs tors. theta energy: -148.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1563.340547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.340547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.340547 (E_RNA)
where:
Base-Base interactions energy: -1092.051
where: short stacking energy: -448.829
Base-Backbone interact. energy: -1.249
local terms energy: -470.040427
where:
bonds (distance) C4'-P energy: -91.795
bonds (distance) P-C4' energy: -82.242
flat angles C4'-P-C4' energy: -99.937
flat angles P-C4'-P energy: -70.283
tors. eta vs tors. theta energy: -125.783
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1462.884726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.884726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.884726 (E_RNA)
where:
Base-Base interactions energy: -1022.715
where: short stacking energy: -454.082
Base-Backbone interact. energy: -1.258
local terms energy: -438.911777
where:
bonds (distance) C4'-P energy: -77.400
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -94.367
flat angles P-C4'-P energy: -60.676
tors. eta vs tors. theta energy: -121.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1439.697007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.697007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.697007 (E_RNA)
where:
Base-Base interactions energy: -983.850
where: short stacking energy: -452.871
Base-Backbone interact. energy: -1.580
local terms energy: -454.266499
where:
bonds (distance) C4'-P energy: -79.011
bonds (distance) P-C4' energy: -89.305
flat angles C4'-P-C4' energy: -96.792
flat angles P-C4'-P energy: -64.434
tors. eta vs tors. theta energy: -124.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1337.235409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.235409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.235409 (E_RNA)
where:
Base-Base interactions energy: -884.454
where: short stacking energy: -414.825
Base-Backbone interact. energy: -0.732
local terms energy: -452.049406
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -96.099
flat angles C4'-P-C4' energy: -96.259
flat angles P-C4'-P energy: -64.553
tors. eta vs tors. theta energy: -109.650
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: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1190.037478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.037478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.037478 (E_RNA)
where:
Base-Base interactions energy: -762.664
where: short stacking energy: -353.315
Base-Backbone interact. energy: 0.544
local terms energy: -427.917552
where:
bonds (distance) C4'-P energy: -84.222
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -100.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1146.163448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.163448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.163448 (E_RNA)
where:
Base-Base interactions energy: -790.065
where: short stacking energy: -349.480
Base-Backbone interact. energy: -1.424
local terms energy: -354.674705
where:
bonds (distance) C4'-P energy: -63.362
bonds (distance) P-C4' energy: -78.650
flat angles C4'-P-C4' energy: -67.905
flat angles P-C4'-P energy: -55.233
tors. eta vs tors. theta energy: -89.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -899.950720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.950720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.950720 (E_RNA)
where:
Base-Base interactions energy: -558.433
where: short stacking energy: -250.813
Base-Backbone interact. energy: -2.861
local terms energy: -338.657134
where:
bonds (distance) C4'-P energy: -81.691
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -93.702
flat angles P-C4'-P energy: -55.246
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -730.368886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.368886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.368886 (E_RNA)
where:
Base-Base interactions energy: -437.073
where: short stacking energy: -217.621
Base-Backbone interact. energy: 0.447
local terms energy: -293.743549
where:
bonds (distance) C4'-P energy: -72.942
bonds (distance) P-C4' energy: -73.218
flat angles C4'-P-C4' energy: -69.739
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -36.906
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -554.960480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.960480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.960480 (E_RNA)
where:
Base-Base interactions energy: -296.503
where: short stacking energy: -172.826
Base-Backbone interact. energy: -0.813
local terms energy: -257.644952
where:
bonds (distance) C4'-P energy: -75.256
bonds (distance) P-C4' energy: -66.777
flat angles C4'-P-C4' energy: -66.485
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1645.958288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.958288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.958288 (E_RNA)
where:
Base-Base interactions energy: -1135.314
where: short stacking energy: -540.507
Base-Backbone interact. energy: -0.219
local terms energy: -510.425579
where:
bonds (distance) C4'-P energy: -90.067
bonds (distance) P-C4' energy: -86.637
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -74.586
tors. eta vs tors. theta energy: -150.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1569.032138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.032138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.032138 (E_RNA)
where:
Base-Base interactions energy: -1111.981
where: short stacking energy: -443.172
Base-Backbone interact. energy: -2.147
local terms energy: -454.904433
where:
bonds (distance) C4'-P energy: -82.684
bonds (distance) P-C4' energy: -82.522
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -70.870
tors. eta vs tors. theta energy: -124.961
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: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1477.151157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.151157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.151157 (E_RNA)
where:
Base-Base interactions energy: -1028.229
where: short stacking energy: -464.032
Base-Backbone interact. energy: 1.810
local terms energy: -450.732593
where:
bonds (distance) C4'-P energy: -83.958
bonds (distance) P-C4' energy: -76.494
flat angles C4'-P-C4' energy: -95.774
flat angles P-C4'-P energy: -66.901
tors. eta vs tors. theta energy: -127.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1423.650690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.650690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.650690 (E_RNA)
where:
Base-Base interactions energy: -976.635
where: short stacking energy: -426.225
Base-Backbone interact. energy: -1.826
local terms energy: -445.190302
where:
bonds (distance) C4'-P energy: -84.402
bonds (distance) P-C4' energy: -80.655
flat angles C4'-P-C4' energy: -97.024
flat angles P-C4'-P energy: -63.453
tors. eta vs tors. theta energy: -119.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1311.244673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.244673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.244673 (E_RNA)
where:
Base-Base interactions energy: -870.843
where: short stacking energy: -420.471
Base-Backbone interact. energy: 0.539
local terms energy: -440.940538
where:
bonds (distance) C4'-P energy: -77.911
bonds (distance) P-C4' energy: -83.052
flat angles C4'-P-C4' energy: -102.961
flat angles P-C4'-P energy: -67.222
tors. eta vs tors. theta energy: -109.794
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: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1220.515733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.515733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.515733 (E_RNA)
where:
Base-Base interactions energy: -828.023
where: short stacking energy: -374.590
Base-Backbone interact. energy: 0.491
local terms energy: -392.983228
where:
bonds (distance) C4'-P energy: -82.805
bonds (distance) P-C4' energy: -83.733
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -106.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1077.060771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.060771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.060771 (E_RNA)
where:
Base-Base interactions energy: -696.962
where: short stacking energy: -326.128
Base-Backbone interact. energy: -2.270
local terms energy: -377.828837
where:
bonds (distance) C4'-P energy: -85.792
bonds (distance) P-C4' energy: -77.307
flat angles C4'-P-C4' energy: -72.974
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -89.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -872.655762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.655762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.655762 (E_RNA)
where:
Base-Base interactions energy: -566.925
where: short stacking energy: -267.341
Base-Backbone interact. energy: -2.743
local terms energy: -302.987989
where:
bonds (distance) C4'-P energy: -69.572
bonds (distance) P-C4' energy: -76.154
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -36.973
tors. eta vs tors. theta energy: -51.785
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: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -769.952551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.952551 (E_RNA)
where:
Base-Base interactions energy: -470.104
where: short stacking energy: -248.549
Base-Backbone interact. energy: 3.973
local terms energy: -303.821805
where:
bonds (distance) C4'-P energy: -74.697
bonds (distance) P-C4' energy: -61.671
flat angles C4'-P-C4' energy: -81.436
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -36.610
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -530.578944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.578944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.578944 (E_RNA)
where:
Base-Base interactions energy: -265.166
where: short stacking energy: -165.825
Base-Backbone interact. energy: -2.657
local terms energy: -262.755843
where:
bonds (distance) C4'-P energy: -68.223
bonds (distance) P-C4' energy: -71.518
flat angles C4'-P-C4' energy: -63.640
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1655.848014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.848014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.848014 (E_RNA)
where:
Base-Base interactions energy: -1150.303
where: short stacking energy: -511.519
Base-Backbone interact. energy: -1.730
local terms energy: -503.815554
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -96.505
flat angles C4'-P-C4' energy: -103.338
flat angles P-C4'-P energy: -74.706
tors. eta vs tors. theta energy: -142.178
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: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1579.150219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.150219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.150219 (E_RNA)
where:
Base-Base interactions energy: -1116.474
where: short stacking energy: -468.163
Base-Backbone interact. energy: 1.375
local terms energy: -464.051572
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -72.738
flat angles C4'-P-C4' energy: -101.335
flat angles P-C4'-P energy: -71.081
tors. eta vs tors. theta energy: -126.508
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1486.679969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.679969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.679969 (E_RNA)
where:
Base-Base interactions energy: -1032.051
where: short stacking energy: -456.921
Base-Backbone interact. energy: 1.264
local terms energy: -455.893196
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -90.789
flat angles C4'-P-C4' energy: -100.061
flat angles P-C4'-P energy: -66.648
tors. eta vs tors. theta energy: -126.677
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1418.886293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.886293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.886293 (E_RNA)
where:
Base-Base interactions energy: -975.674
where: short stacking energy: -435.990
Base-Backbone interact. energy: -2.607
local terms energy: -440.605114
where:
bonds (distance) C4'-P energy: -86.649
bonds (distance) P-C4' energy: -82.745
flat angles C4'-P-C4' energy: -92.508
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -133.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1290.886394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.886394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.886394 (E_RNA)
where:
Base-Base interactions energy: -868.424
where: short stacking energy: -419.119
Base-Backbone interact. energy: -0.888
local terms energy: -421.574168
where:
bonds (distance) C4'-P energy: -72.302
bonds (distance) P-C4' energy: -82.551
flat angles C4'-P-C4' energy: -94.182
flat angles P-C4'-P energy: -61.882
tors. eta vs tors. theta energy: -110.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1235.007901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.007901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.007901 (E_RNA)
where:
Base-Base interactions energy: -830.438
where: short stacking energy: -374.423
Base-Backbone interact. energy: -0.422
local terms energy: -404.147491
where:
bonds (distance) C4'-P energy: -79.459
bonds (distance) P-C4' energy: -92.364
flat angles C4'-P-C4' energy: -84.141
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -99.497
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1064.368384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.368384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.368384 (E_RNA)
where:
Base-Base interactions energy: -706.651
where: short stacking energy: -317.625
Base-Backbone interact. energy: 1.208
local terms energy: -358.924828
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -81.733
flat angles C4'-P-C4' energy: -78.038
flat angles P-C4'-P energy: -59.823
tors. eta vs tors. theta energy: -71.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -829.731626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.731626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.731626 (E_RNA)
where:
Base-Base interactions energy: -526.998
where: short stacking energy: -259.376
Base-Backbone interact. energy: 1.333
local terms energy: -304.066792
where:
bonds (distance) C4'-P energy: -54.164
bonds (distance) P-C4' energy: -84.272
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -48.485
tors. eta vs tors. theta energy: -36.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -739.295855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.295855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.295855 (E_RNA)
where:
Base-Base interactions energy: -435.491
where: short stacking energy: -237.526
Base-Backbone interact. energy: 2.396
local terms energy: -306.200896
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -66.270
flat angles C4'-P-C4' energy: -69.159
flat angles P-C4'-P energy: -49.983
tors. eta vs tors. theta energy: -34.605
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -519.563080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.563080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.563080 (E_RNA)
where:
Base-Base interactions energy: -239.667
where: short stacking energy: -150.334
Base-Backbone interact. energy: -0.139
local terms energy: -279.756585
where:
bonds (distance) C4'-P energy: -84.161
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -82.707
flat angles P-C4'-P energy: -38.931
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1647.169482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.169482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.169482 (E_RNA)
where:
Base-Base interactions energy: -1125.908
where: short stacking energy: -515.097
Base-Backbone interact. energy: -1.272
local terms energy: -519.989555
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -110.573
flat angles P-C4'-P energy: -71.876
tors. eta vs tors. theta energy: -149.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1576.193824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.193824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.193824 (E_RNA)
where:
Base-Base interactions energy: -1101.608
where: short stacking energy: -466.986
Base-Backbone interact. energy: -0.955
local terms energy: -473.630404
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -84.445
flat angles C4'-P-C4' energy: -104.955
flat angles P-C4'-P energy: -61.959
tors. eta vs tors. theta energy: -129.808
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1486.766836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.766836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.766836 (E_RNA)
where:
Base-Base interactions energy: -1027.542
where: short stacking energy: -452.024
Base-Backbone interact. energy: -1.400
local terms energy: -457.825238
where:
bonds (distance) C4'-P energy: -78.952
bonds (distance) P-C4' energy: -80.107
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -126.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1393.555080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.555080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.555080 (E_RNA)
where:
Base-Base interactions energy: -954.781
where: short stacking energy: -414.857
Base-Backbone interact. energy: -2.637
local terms energy: -436.137605
where:
bonds (distance) C4'-P energy: -85.888
bonds (distance) P-C4' energy: -70.708
flat angles C4'-P-C4' energy: -92.682
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -124.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1241.112319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.112319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.112319 (E_RNA)
where:
Base-Base interactions energy: -818.217
where: short stacking energy: -385.610
Base-Backbone interact. energy: -2.156
local terms energy: -420.739949
where:
bonds (distance) C4'-P energy: -83.642
bonds (distance) P-C4' energy: -90.076
flat angles C4'-P-C4' energy: -89.214
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -109.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1263.509200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.509200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.509200 (E_RNA)
where:
Base-Base interactions energy: -871.703
where: short stacking energy: -376.451
Base-Backbone interact. energy: -0.818
local terms energy: -390.988936
where:
bonds (distance) C4'-P energy: -70.645
bonds (distance) P-C4' energy: -87.504
flat angles C4'-P-C4' energy: -87.649
flat angles P-C4'-P energy: -54.417
tors. eta vs tors. theta energy: -90.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1045.871727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.871727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.871727 (E_RNA)
where:
Base-Base interactions energy: -680.913
where: short stacking energy: -312.617
Base-Backbone interact. energy: -1.807
local terms energy: -363.151531
where:
bonds (distance) C4'-P energy: -76.007
bonds (distance) P-C4' energy: -77.241
flat angles C4'-P-C4' energy: -93.609
flat angles P-C4'-P energy: -46.481
tors. eta vs tors. theta energy: -69.813
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: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -886.698261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.698261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.698261 (E_RNA)
where:
Base-Base interactions energy: -564.013
where: short stacking energy: -254.030
Base-Backbone interact. energy: 1.229
local terms energy: -323.913794
where:
bonds (distance) C4'-P energy: -72.823
bonds (distance) P-C4' energy: -83.505
flat angles C4'-P-C4' energy: -75.573
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: -46.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -736.220905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.220905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.220905 (E_RNA)
where:
Base-Base interactions energy: -443.803
where: short stacking energy: -211.215
Base-Backbone interact. energy: 0.995
local terms energy: -293.412767
where:
bonds (distance) C4'-P energy: -71.447
bonds (distance) P-C4' energy: -84.548
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -26.687
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -544.181247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.181247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.181247 (E_RNA)
where:
Base-Base interactions energy: -281.043
where: short stacking energy: -161.208
Base-Backbone interact. energy: 1.505
local terms energy: -264.642992
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -73.849
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1641.622747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.622747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.622747 (E_RNA)
where:
Base-Base interactions energy: -1133.447
where: short stacking energy: -512.604
Base-Backbone interact. energy: 0.042
local terms energy: -508.217283
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -95.765
flat angles C4'-P-C4' energy: -108.873
flat angles P-C4'-P energy: -68.279
tors. eta vs tors. theta energy: -147.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1573.963111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.963111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.963111 (E_RNA)
where:
Base-Base interactions energy: -1102.075
where: short stacking energy: -478.349
Base-Backbone interact. energy: -5.387
local terms energy: -466.500969
where:
bonds (distance) C4'-P energy: -83.177
bonds (distance) P-C4' energy: -83.469
flat angles C4'-P-C4' energy: -101.735
flat angles P-C4'-P energy: -67.161
tors. eta vs tors. theta energy: -130.959
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1503.887122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.887122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.887122 (E_RNA)
where:
Base-Base interactions energy: -1044.537
where: short stacking energy: -457.096
Base-Backbone interact. energy: -1.671
local terms energy: -457.678601
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -90.891
flat angles C4'-P-C4' energy: -92.182
flat angles P-C4'-P energy: -62.669
tors. eta vs tors. theta energy: -126.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1425.614182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.614182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.614182 (E_RNA)
where:
Base-Base interactions energy: -973.221
where: short stacking energy: -443.378
Base-Backbone interact. energy: -1.212
local terms energy: -451.180508
where:
bonds (distance) C4'-P energy: -78.307
bonds (distance) P-C4' energy: -79.345
flat angles C4'-P-C4' energy: -98.506
flat angles P-C4'-P energy: -66.683
tors. eta vs tors. theta energy: -128.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1336.747579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.747579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.747579 (E_RNA)
where:
Base-Base interactions energy: -878.354
where: short stacking energy: -398.864
Base-Backbone interact. energy: -0.685
local terms energy: -457.708619
where:
bonds (distance) C4'-P energy: -82.667
bonds (distance) P-C4' energy: -93.778
flat angles C4'-P-C4' energy: -101.154
flat angles P-C4'-P energy: -69.163
tors. eta vs tors. theta energy: -110.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1189.883117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.883117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.883117 (E_RNA)
where:
Base-Base interactions energy: -796.647
where: short stacking energy: -345.672
Base-Backbone interact. energy: -0.706
local terms energy: -392.529602
where:
bonds (distance) C4'-P energy: -63.615
bonds (distance) P-C4' energy: -70.956
flat angles C4'-P-C4' energy: -95.341
flat angles P-C4'-P energy: -63.697
tors. eta vs tors. theta energy: -98.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1077.691470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.691470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.691470 (E_RNA)
where:
Base-Base interactions energy: -701.175
where: short stacking energy: -316.280
Base-Backbone interact. energy: 1.694
local terms energy: -378.210430
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -80.493
flat angles C4'-P-C4' energy: -87.508
flat angles P-C4'-P energy: -45.171
tors. eta vs tors. theta energy: -84.866
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: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -829.428490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.428490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.428490 (E_RNA)
where:
Base-Base interactions energy: -520.703
where: short stacking energy: -240.723
Base-Backbone interact. energy: -4.165
local terms energy: -304.561116
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -78.050
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -50.930
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -712.303741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.303741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.303741 (E_RNA)
where:
Base-Base interactions energy: -418.471
where: short stacking energy: -187.838
Base-Backbone interact. energy: 1.394
local terms energy: -295.227295
where:
bonds (distance) C4'-P energy: -80.159
bonds (distance) P-C4' energy: -87.851
flat angles C4'-P-C4' energy: -70.775
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -17.255
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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -519.800713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.800713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.800713 (E_RNA)
where:
Base-Base interactions energy: -243.235
where: short stacking energy: -140.146
Base-Backbone interact. energy: -0.064
local terms energy: -276.501219
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -79.947
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: 0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1618.542554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.542554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.542554 (E_RNA)
where:
Base-Base interactions energy: -1109.354
where: short stacking energy: -505.152
Base-Backbone interact. energy: -0.125
local terms energy: -509.063515
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -92.210
flat angles C4'-P-C4' energy: -107.346
flat angles P-C4'-P energy: -80.295
tors. eta vs tors. theta energy: -136.373
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: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1554.139078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.139078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.139078 (E_RNA)
where:
Base-Base interactions energy: -1060.057
where: short stacking energy: -451.867
Base-Backbone interact. energy: -1.526
local terms energy: -492.556166
where:
bonds (distance) C4'-P energy: -93.421
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -133.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1489.201775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.201775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.201775 (E_RNA)
where:
Base-Base interactions energy: -1012.297
where: short stacking energy: -438.837
Base-Backbone interact. energy: -2.711
local terms energy: -474.193574
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -93.357
flat angles C4'-P-C4' energy: -104.686
flat angles P-C4'-P energy: -71.757
tors. eta vs tors. theta energy: -124.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1451.595280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.595280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.595280 (E_RNA)
where:
Base-Base interactions energy: -1030.074
where: short stacking energy: -442.828
Base-Backbone interact. energy: -3.138
local terms energy: -418.382778
where:
bonds (distance) C4'-P energy: -74.014
bonds (distance) P-C4' energy: -79.764
flat angles C4'-P-C4' energy: -88.964
flat angles P-C4'-P energy: -52.640
tors. eta vs tors. theta energy: -123.001
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: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1337.911546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.911546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.911546 (E_RNA)
where:
Base-Base interactions energy: -910.188
where: short stacking energy: -434.496
Base-Backbone interact. energy: -0.474
local terms energy: -427.249150
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -90.258
flat angles C4'-P-C4' energy: -104.770
flat angles P-C4'-P energy: -48.657
tors. eta vs tors. theta energy: -115.095
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: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1110.580034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.580034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.580034 (E_RNA)
where:
Base-Base interactions energy: -729.779
where: short stacking energy: -334.427
Base-Backbone interact. energy: -0.752
local terms energy: -380.048294
where:
bonds (distance) C4'-P energy: -79.830
bonds (distance) P-C4' energy: -76.123
flat angles C4'-P-C4' energy: -86.806
flat angles P-C4'-P energy: -60.513
tors. eta vs tors. theta energy: -76.775
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: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1148.722087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.722087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.722087 (E_RNA)
where:
Base-Base interactions energy: -773.815
where: short stacking energy: -356.936
Base-Backbone interact. energy: 0.402
local terms energy: -375.309493
where:
bonds (distance) C4'-P energy: -72.267
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -90.328
flat angles P-C4'-P energy: -54.568
tors. eta vs tors. theta energy: -102.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -817.357714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.357714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.357714 (E_RNA)
where:
Base-Base interactions energy: -504.720
where: short stacking energy: -242.880
Base-Backbone interact. energy: 2.529
local terms energy: -315.167172
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -81.479
flat angles C4'-P-C4' energy: -63.278
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -28.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -634.102653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.102653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.102653 (E_RNA)
where:
Base-Base interactions energy: -346.886
where: short stacking energy: -196.398
Base-Backbone interact. energy: -2.172
local terms energy: -285.044849
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -79.388
flat angles C4'-P-C4' energy: -71.626
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -34.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -535.344408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.344408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.344408 (E_RNA)
where:
Base-Base interactions energy: -294.225
where: short stacking energy: -162.560
Base-Backbone interact. energy: 4.451
local terms energy: -245.570516
where:
bonds (distance) C4'-P energy: -76.579
bonds (distance) P-C4' energy: -71.379
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1662.967584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.967584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.967584 (E_RNA)
where:
Base-Base interactions energy: -1144.728
where: short stacking energy: -514.745
Base-Backbone interact. energy: -2.567
local terms energy: -515.672767
where:
bonds (distance) C4'-P energy: -93.237
bonds (distance) P-C4' energy: -96.526
flat angles C4'-P-C4' energy: -109.390
flat angles P-C4'-P energy: -63.543
tors. eta vs tors. theta energy: -152.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1567.505541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.505541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.505541 (E_RNA)
where:
Base-Base interactions energy: -1092.156
where: short stacking energy: -422.464
Base-Backbone interact. energy: 1.041
local terms energy: -476.391260
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -87.467
flat angles C4'-P-C4' energy: -100.391
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -124.989
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1456.946342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.946342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.946342 (E_RNA)
where:
Base-Base interactions energy: -997.931
where: short stacking energy: -472.934
Base-Backbone interact. energy: -1.509
local terms energy: -457.505778
where:
bonds (distance) C4'-P energy: -79.450
bonds (distance) P-C4' energy: -85.757
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -58.529
tors. eta vs tors. theta energy: -133.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1457.896004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.896004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.896004 (E_RNA)
where:
Base-Base interactions energy: -1007.091
where: short stacking energy: -436.501
Base-Backbone interact. energy: -4.657
local terms energy: -446.148178
where:
bonds (distance) C4'-P energy: -69.432
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -96.575
flat angles P-C4'-P energy: -60.940
tors. eta vs tors. theta energy: -121.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1302.195456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.195456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.195456 (E_RNA)
where:
Base-Base interactions energy: -890.274
where: short stacking energy: -432.436
Base-Backbone interact. energy: -0.870
local terms energy: -411.051164
where:
bonds (distance) C4'-P energy: -65.157
bonds (distance) P-C4' energy: -77.132
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -63.061
tors. eta vs tors. theta energy: -111.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1143.637783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.637783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.637783 (E_RNA)
where:
Base-Base interactions energy: -761.836
where: short stacking energy: -335.926
Base-Backbone interact. energy: 4.733
local terms energy: -386.534425
where:
bonds (distance) C4'-P energy: -83.980
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -83.824
flat angles P-C4'-P energy: -54.110
tors. eta vs tors. theta energy: -77.561
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: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1075.770118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.770118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.770118 (E_RNA)
where:
Base-Base interactions energy: -718.057
where: short stacking energy: -317.913
Base-Backbone interact. energy: -1.068
local terms energy: -356.644385
where:
bonds (distance) C4'-P energy: -75.953
bonds (distance) P-C4' energy: -79.838
flat angles C4'-P-C4' energy: -79.391
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -71.158
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: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -840.319802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.319802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.319802 (E_RNA)
where:
Base-Base interactions energy: -521.061
where: short stacking energy: -232.357
Base-Backbone interact. energy: 0.946
local terms energy: -320.205173
where:
bonds (distance) C4'-P energy: -72.846
bonds (distance) P-C4' energy: -68.618
flat angles C4'-P-C4' energy: -84.496
flat angles P-C4'-P energy: -51.301
tors. eta vs tors. theta energy: -42.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -649.639996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.639996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.639996 (E_RNA)
where:
Base-Base interactions energy: -358.000
where: short stacking energy: -194.449
Base-Backbone interact. energy: 0.050
local terms energy: -291.689711
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -87.646
flat angles C4'-P-C4' energy: -48.709
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -20.229
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: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -500.207682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.207682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.207682 (E_RNA)
where:
Base-Base interactions energy: -240.036
where: short stacking energy: -171.020
Base-Backbone interact. energy: -0.564
local terms energy: -259.608243
where:
bonds (distance) C4'-P energy: -55.507
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -79.449
flat angles P-C4'-P energy: -47.748
tors. eta vs tors. theta energy: -6.613
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: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1645.578438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.578438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.578438 (E_RNA)
where:
Base-Base interactions energy: -1129.713
where: short stacking energy: -522.085
Base-Backbone interact. energy: -2.518
local terms energy: -513.347650
where:
bonds (distance) C4'-P energy: -94.123
bonds (distance) P-C4' energy: -92.728
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -150.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1580.965098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.965098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.965098 (E_RNA)
where:
Base-Base interactions energy: -1119.988
where: short stacking energy: -437.653
Base-Backbone interact. energy: -2.702
local terms energy: -458.274866
where:
bonds (distance) C4'-P energy: -81.886
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -95.265
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -128.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1490.836163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.836163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.836163 (E_RNA)
where:
Base-Base interactions energy: -1026.142
where: short stacking energy: -477.279
Base-Backbone interact. energy: -1.139
local terms energy: -463.555301
where:
bonds (distance) C4'-P energy: -86.842
bonds (distance) P-C4' energy: -81.170
flat angles C4'-P-C4' energy: -96.632
flat angles P-C4'-P energy: -60.384
tors. eta vs tors. theta energy: -138.528
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: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1463.849812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.849812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.849812 (E_RNA)
where:
Base-Base interactions energy: -994.367
where: short stacking energy: -450.496
Base-Backbone interact. energy: -4.341
local terms energy: -465.142110
where:
bonds (distance) C4'-P energy: -77.334
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -100.126
flat angles P-C4'-P energy: -74.198
tors. eta vs tors. theta energy: -132.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1331.437641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.437641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.437641 (E_RNA)
where:
Base-Base interactions energy: -900.510
where: short stacking energy: -407.231
Base-Backbone interact. energy: -2.976
local terms energy: -427.951201
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -87.829
flat angles C4'-P-C4' energy: -92.713
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -110.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1119.012227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.012227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.012227 (E_RNA)
where:
Base-Base interactions energy: -744.315
where: short stacking energy: -336.186
Base-Backbone interact. energy: 2.565
local terms energy: -377.262102
where:
bonds (distance) C4'-P energy: -85.814
bonds (distance) P-C4' energy: -66.204
flat angles C4'-P-C4' energy: -89.436
flat angles P-C4'-P energy: -58.106
tors. eta vs tors. theta energy: -77.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1064.648976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.648976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.648976 (E_RNA)
where:
Base-Base interactions energy: -710.859
where: short stacking energy: -296.067
Base-Backbone interact. energy: 1.024
local terms energy: -354.813577
where:
bonds (distance) C4'-P energy: -82.935
bonds (distance) P-C4' energy: -71.417
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -49.161
tors. eta vs tors. theta energy: -63.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -868.711568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.711568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.711568 (E_RNA)
where:
Base-Base interactions energy: -523.562
where: short stacking energy: -260.584
Base-Backbone interact. energy: 12.234
local terms energy: -357.383236
where:
bonds (distance) C4'-P energy: -85.294
bonds (distance) P-C4' energy: -86.929
flat angles C4'-P-C4' energy: -83.173
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -60.801
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: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -680.175688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.175688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.175688 (E_RNA)
where:
Base-Base interactions energy: -370.010
where: short stacking energy: -214.697
Base-Backbone interact. energy: -2.979
local terms energy: -307.186773
where:
bonds (distance) C4'-P energy: -75.200
bonds (distance) P-C4' energy: -74.636
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -471.017606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.017606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.017606 (E_RNA)
where:
Base-Base interactions energy: -220.865
where: short stacking energy: -143.455
Base-Backbone interact. energy: -1.508
local terms energy: -248.644437
where:
bonds (distance) C4'-P energy: -73.820
bonds (distance) P-C4' energy: -61.576
flat angles C4'-P-C4' energy: -72.917
flat angles P-C4'-P energy: -29.719
tors. eta vs tors. theta energy: -10.613
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: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1670.861359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.861359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.861359 (E_RNA)
where:
Base-Base interactions energy: -1159.499
where: short stacking energy: -529.146
Base-Backbone interact. energy: -3.049
local terms energy: -508.313112
where:
bonds (distance) C4'-P energy: -83.731
bonds (distance) P-C4' energy: -105.184
flat angles C4'-P-C4' energy: -107.585
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -145.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1589.730766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.730766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.730766 (E_RNA)
where:
Base-Base interactions energy: -1108.245
where: short stacking energy: -440.075
Base-Backbone interact. energy: 2.696
local terms energy: -484.181991
where:
bonds (distance) C4'-P energy: -90.575
bonds (distance) P-C4' energy: -92.342
flat angles C4'-P-C4' energy: -97.837
flat angles P-C4'-P energy: -72.958
tors. eta vs tors. theta energy: -130.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1477.184745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.184745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.184745 (E_RNA)
where:
Base-Base interactions energy: -1006.910
where: short stacking energy: -472.249
Base-Backbone interact. energy: -2.354
local terms energy: -467.920283
where:
bonds (distance) C4'-P energy: -83.018
bonds (distance) P-C4' energy: -83.427
flat angles C4'-P-C4' energy: -101.962
flat angles P-C4'-P energy: -65.029
tors. eta vs tors. theta energy: -134.485
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1420.471902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.471902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.471902 (E_RNA)
where:
Base-Base interactions energy: -964.921
where: short stacking energy: -435.618
Base-Backbone interact. energy: -0.472
local terms energy: -455.078729
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -81.918
flat angles C4'-P-C4' energy: -104.596
flat angles P-C4'-P energy: -61.052
tors. eta vs tors. theta energy: -117.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1351.621542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.621542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.621542 (E_RNA)
where:
Base-Base interactions energy: -914.495
where: short stacking energy: -459.100
Base-Backbone interact. energy: -2.113
local terms energy: -435.012719
where:
bonds (distance) C4'-P energy: -71.460
bonds (distance) P-C4' energy: -81.009
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -58.245
tors. eta vs tors. theta energy: -127.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1137.785734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.785734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.785734 (E_RNA)
where:
Base-Base interactions energy: -768.795
where: short stacking energy: -331.727
Base-Backbone interact. energy: -4.347
local terms energy: -364.644239
where:
bonds (distance) C4'-P energy: -67.645
bonds (distance) P-C4' energy: -88.116
flat angles C4'-P-C4' energy: -75.178
flat angles P-C4'-P energy: -61.472
tors. eta vs tors. theta energy: -72.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1041.282474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.282474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.282474 (E_RNA)
where:
Base-Base interactions energy: -680.691
where: short stacking energy: -288.921
Base-Backbone interact. energy: -1.542
local terms energy: -359.049558
where:
bonds (distance) C4'-P energy: -76.269
bonds (distance) P-C4' energy: -74.378
flat angles C4'-P-C4' energy: -77.321
flat angles P-C4'-P energy: -56.370
tors. eta vs tors. theta energy: -74.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -847.784087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.784087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.784087 (E_RNA)
where:
Base-Base interactions energy: -512.271
where: short stacking energy: -242.444
Base-Backbone interact. energy: 1.841
local terms energy: -337.354688
where:
bonds (distance) C4'-P energy: -77.134
bonds (distance) P-C4' energy: -81.964
flat angles C4'-P-C4' energy: -68.510
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -56.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -671.741680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.741680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.741680 (E_RNA)
where:
Base-Base interactions energy: -371.095
where: short stacking energy: -185.395
Base-Backbone interact. energy: 0.560
local terms energy: -301.206531
where:
bonds (distance) C4'-P energy: -86.142
bonds (distance) P-C4' energy: -76.347
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -46.730
tors. eta vs tors. theta energy: -17.652
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -490.063156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.063156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.063156 (E_RNA)
where:
Base-Base interactions energy: -242.700
where: short stacking energy: -165.857
Base-Backbone interact. energy: 1.886
local terms energy: -249.249370
where:
bonds (distance) C4'-P energy: -73.439
bonds (distance) P-C4' energy: -83.031
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -4.525
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: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1656.885321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.885321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.885321 (E_RNA)
where:
Base-Base interactions energy: -1138.846
where: short stacking energy: -529.882
Base-Backbone interact. energy: -2.450
local terms energy: -515.589358
where:
bonds (distance) C4'-P energy: -94.250
bonds (distance) P-C4' energy: -90.678
flat angles C4'-P-C4' energy: -109.256
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -145.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1581.934373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.934373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.934373 (E_RNA)
where:
Base-Base interactions energy: -1125.707
where: short stacking energy: -454.091
Base-Backbone interact. energy: -1.820
local terms energy: -454.407424
where:
bonds (distance) C4'-P energy: -72.463
bonds (distance) P-C4' energy: -93.229
flat angles C4'-P-C4' energy: -88.942
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -134.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1492.776351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.776351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.776351 (E_RNA)
where:
Base-Base interactions energy: -1007.622
where: short stacking energy: -462.786
Base-Backbone interact. energy: -0.515
local terms energy: -484.640023
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -84.220
flat angles C4'-P-C4' energy: -104.938
flat angles P-C4'-P energy: -74.657
tors. eta vs tors. theta energy: -133.080
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: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1409.983877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.983877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.983877 (E_RNA)
where:
Base-Base interactions energy: -967.964
where: short stacking energy: -422.859
Base-Backbone interact. energy: -0.879
local terms energy: -441.140975
where:
bonds (distance) C4'-P energy: -88.514
bonds (distance) P-C4' energy: -84.466
flat angles C4'-P-C4' energy: -92.269
flat angles P-C4'-P energy: -62.341
tors. eta vs tors. theta energy: -113.551
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: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1321.332470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.332470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.332470 (E_RNA)
where:
Base-Base interactions energy: -909.836
where: short stacking energy: -419.209
Base-Backbone interact. energy: -1.922
local terms energy: -409.574312
where:
bonds (distance) C4'-P energy: -74.902
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -95.517
flat angles P-C4'-P energy: -49.716
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: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1096.142790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.142790 (E_RNA)
where:
Base-Base interactions energy: -710.024
where: short stacking energy: -317.160
Base-Backbone interact. energy: -2.044
local terms energy: -384.074689
where:
bonds (distance) C4'-P energy: -77.452
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -87.276
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -74.023
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1051.149074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.149074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.149074 (E_RNA)
where:
Base-Base interactions energy: -688.082
where: short stacking energy: -326.147
Base-Backbone interact. energy: 1.032
local terms energy: -364.099383
where:
bonds (distance) C4'-P energy: -81.162
bonds (distance) P-C4' energy: -76.521
flat angles C4'-P-C4' energy: -79.761
flat angles P-C4'-P energy: -50.448
tors. eta vs tors. theta energy: -76.206
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: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -811.576616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.576616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.576616 (E_RNA)
where:
Base-Base interactions energy: -475.262
where: short stacking energy: -234.724
Base-Backbone interact. energy: -3.835
local terms energy: -332.479562
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -76.855
flat angles C4'-P-C4' energy: -86.988
flat angles P-C4'-P energy: -52.175
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -649.064994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.064994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.064994 (E_RNA)
where:
Base-Base interactions energy: -374.229
where: short stacking energy: -192.630
Base-Backbone interact. energy: 1.946
local terms energy: -276.781914
where:
bonds (distance) C4'-P energy: -84.396
bonds (distance) P-C4' energy: -70.862
flat angles C4'-P-C4' energy: -78.609
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -473.431756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.431756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.431756 (E_RNA)
where:
Base-Base interactions energy: -224.135
where: short stacking energy: -159.487
Base-Backbone interact. energy: 5.720
local terms energy: -255.016334
where:
bonds (distance) C4'-P energy: -78.400
bonds (distance) P-C4' energy: -64.509
flat angles C4'-P-C4' energy: -67.954
flat angles P-C4'-P energy: -42.274
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: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1636.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.002152 (E_RNA)
where:
Base-Base interactions energy: -1128.809
where: short stacking energy: -520.898
Base-Backbone interact. energy: -1.957
local terms energy: -505.236205
where:
bonds (distance) C4'-P energy: -89.250
bonds (distance) P-C4' energy: -83.873
flat angles C4'-P-C4' energy: -108.279
flat angles P-C4'-P energy: -70.190
tors. eta vs tors. theta energy: -153.644
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: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1576.746819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.746819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.746819 (E_RNA)
where:
Base-Base interactions energy: -1112.398
where: short stacking energy: -464.707
Base-Backbone interact. energy: -0.667
local terms energy: -463.681845
where:
bonds (distance) C4'-P energy: -87.804
bonds (distance) P-C4' energy: -84.279
flat angles C4'-P-C4' energy: -99.725
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -122.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1514.166739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.166739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.166739 (E_RNA)
where:
Base-Base interactions energy: -1037.256
where: short stacking energy: -446.882
Base-Backbone interact. energy: 0.562
local terms energy: -477.472227
where:
bonds (distance) C4'-P energy: -85.808
bonds (distance) P-C4' energy: -89.432
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -133.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1408.193935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.193935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.193935 (E_RNA)
where:
Base-Base interactions energy: -967.856
where: short stacking energy: -443.449
Base-Backbone interact. energy: 0.917
local terms energy: -441.255608
where:
bonds (distance) C4'-P energy: -78.059
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -101.388
flat angles P-C4'-P energy: -63.912
tors. eta vs tors. theta energy: -113.048
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1353.482535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.482535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.482535 (E_RNA)
where:
Base-Base interactions energy: -890.031
where: short stacking energy: -415.183
Base-Backbone interact. energy: -0.219
local terms energy: -463.232744
where:
bonds (distance) C4'-P energy: -86.899
bonds (distance) P-C4' energy: -90.856
flat angles C4'-P-C4' energy: -91.792
flat angles P-C4'-P energy: -70.980
tors. eta vs tors. theta energy: -122.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1087.698552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.698552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.698552 (E_RNA)
where:
Base-Base interactions energy: -699.523
where: short stacking energy: -312.811
Base-Backbone interact. energy: -0.318
local terms energy: -387.856993
where:
bonds (distance) C4'-P energy: -82.551
bonds (distance) P-C4' energy: -80.718
flat angles C4'-P-C4' energy: -93.125
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -76.168
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -966.313153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.313153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.313153 (E_RNA)
where:
Base-Base interactions energy: -646.512
where: short stacking energy: -271.324
Base-Backbone interact. energy: 0.277
local terms energy: -320.078777
where:
bonds (distance) C4'-P energy: -69.123
bonds (distance) P-C4' energy: -65.234
flat angles C4'-P-C4' energy: -85.275
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: -56.742
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: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -866.937631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.937631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.937631 (E_RNA)
where:
Base-Base interactions energy: -547.918
where: short stacking energy: -230.614
Base-Backbone interact. energy: 3.262
local terms energy: -322.281845
where:
bonds (distance) C4'-P energy: -84.231
bonds (distance) P-C4' energy: -80.720
flat angles C4'-P-C4' energy: -72.923
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -39.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -642.467703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.467703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.467703 (E_RNA)
where:
Base-Base interactions energy: -368.826
where: short stacking energy: -183.192
Base-Backbone interact. energy: -1.788
local terms energy: -271.854206
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -36.883
tors. eta vs tors. theta energy: -18.406
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -422.146464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.146464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.146464 (E_RNA)
where:
Base-Base interactions energy: -174.031
where: short stacking energy: -121.178
Base-Backbone interact. energy: -0.450
local terms energy: -247.665824
where:
bonds (distance) C4'-P energy: -67.473
bonds (distance) P-C4' energy: -77.038
flat angles C4'-P-C4' energy: -71.127
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: 8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1648.027070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.027070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.027070 (E_RNA)
where:
Base-Base interactions energy: -1132.854
where: short stacking energy: -518.294
Base-Backbone interact. energy: -0.673
local terms energy: -514.500092
where:
bonds (distance) C4'-P energy: -93.402
bonds (distance) P-C4' energy: -92.437
flat angles C4'-P-C4' energy: -106.759
flat angles P-C4'-P energy: -70.179
tors. eta vs tors. theta energy: -151.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1557.584883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.584883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.584883 (E_RNA)
where:
Base-Base interactions energy: -1076.359
where: short stacking energy: -451.616
Base-Backbone interact. energy: -0.148
local terms energy: -481.077916
where:
bonds (distance) C4'-P energy: -97.940
bonds (distance) P-C4' energy: -93.292
flat angles C4'-P-C4' energy: -95.506
flat angles P-C4'-P energy: -68.083
tors. eta vs tors. theta energy: -126.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1494.312379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.312379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.312379 (E_RNA)
where:
Base-Base interactions energy: -1037.667
where: short stacking energy: -438.274
Base-Backbone interact. energy: -0.183
local terms energy: -456.462860
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -95.232
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -119.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1393.286075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.286075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.286075 (E_RNA)
where:
Base-Base interactions energy: -954.455
where: short stacking energy: -421.472
Base-Backbone interact. energy: -2.177
local terms energy: -436.654625
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -81.005
flat angles C4'-P-C4' energy: -96.510
flat angles P-C4'-P energy: -68.224
tors. eta vs tors. theta energy: -105.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1354.916416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.916416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.916416 (E_RNA)
where:
Base-Base interactions energy: -921.290
where: short stacking energy: -415.645
Base-Backbone interact. energy: -2.691
local terms energy: -430.935544
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -78.795
flat angles C4'-P-C4' energy: -96.731
flat angles P-C4'-P energy: -66.010
tors. eta vs tors. theta energy: -112.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1074.281387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.281387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.281387 (E_RNA)
where:
Base-Base interactions energy: -699.404
where: short stacking energy: -324.735
Base-Backbone interact. energy: -2.176
local terms energy: -372.701052
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -77.620
flat angles C4'-P-C4' energy: -80.637
flat angles P-C4'-P energy: -66.185
tors. eta vs tors. theta energy: -78.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1047.081828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.081828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.081828 (E_RNA)
where:
Base-Base interactions energy: -668.844
where: short stacking energy: -326.991
Base-Backbone interact. energy: 1.728
local terms energy: -379.966461
where:
bonds (distance) C4'-P energy: -87.880
bonds (distance) P-C4' energy: -87.905
flat angles C4'-P-C4' energy: -84.466
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -68.012
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: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -872.734524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.734524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.734524 (E_RNA)
where:
Base-Base interactions energy: -534.593
where: short stacking energy: -263.998
Base-Backbone interact. energy: -1.616
local terms energy: -336.525575
where:
bonds (distance) C4'-P energy: -87.316
bonds (distance) P-C4' energy: -74.443
flat angles C4'-P-C4' energy: -82.103
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -45.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -673.364156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.364156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.364156 (E_RNA)
where:
Base-Base interactions energy: -365.567
where: short stacking energy: -196.778
Base-Backbone interact. energy: -0.825
local terms energy: -306.972211
where:
bonds (distance) C4'-P energy: -77.071
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -74.063
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -31.468
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: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -471.067952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.067952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.067952 (E_RNA)
where:
Base-Base interactions energy: -231.018
where: short stacking energy: -155.679
Base-Backbone interact. energy: -1.531
local terms energy: -238.518886
where:
bonds (distance) C4'-P energy: -70.290
bonds (distance) P-C4' energy: -66.021
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: 12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1664.612204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.612204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.612204 (E_RNA)
where:
Base-Base interactions energy: -1161.980
where: short stacking energy: -545.752
Base-Backbone interact. energy: -3.413
local terms energy: -499.219642
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -90.675
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -75.813
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1598.639382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.639382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.639382 (E_RNA)
where:
Base-Base interactions energy: -1099.246
where: short stacking energy: -439.369
Base-Backbone interact. energy: -1.721
local terms energy: -497.672889
where:
bonds (distance) C4'-P energy: -95.206
bonds (distance) P-C4' energy: -98.870
flat angles C4'-P-C4' energy: -108.775
flat angles P-C4'-P energy: -70.456
tors. eta vs tors. theta energy: -124.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1484.468898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.468898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.468898 (E_RNA)
where:
Base-Base interactions energy: -1030.429
where: short stacking energy: -439.507
Base-Backbone interact. energy: 0.748
local terms energy: -454.787662
where:
bonds (distance) C4'-P energy: -92.536
bonds (distance) P-C4' energy: -84.353
flat angles C4'-P-C4' energy: -92.909
flat angles P-C4'-P energy: -60.821
tors. eta vs tors. theta energy: -124.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1386.403348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.403348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.403348 (E_RNA)
where:
Base-Base interactions energy: -945.993
where: short stacking energy: -407.483
Base-Backbone interact. energy: -1.560
local terms energy: -438.850311
where:
bonds (distance) C4'-P energy: -90.095
bonds (distance) P-C4' energy: -79.075
flat angles C4'-P-C4' energy: -98.976
flat angles P-C4'-P energy: -63.462
tors. eta vs tors. theta energy: -107.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1321.380850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.380850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.380850 (E_RNA)
where:
Base-Base interactions energy: -898.567
where: short stacking energy: -388.539
Base-Backbone interact. energy: 0.758
local terms energy: -423.571877
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -88.141
flat angles C4'-P-C4' energy: -88.062
flat angles P-C4'-P energy: -58.810
tors. eta vs tors. theta energy: -109.214
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: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1140.937676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.937676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.937676 (E_RNA)
where:
Base-Base interactions energy: -758.410
where: short stacking energy: -368.273
Base-Backbone interact. energy: 0.797
local terms energy: -383.324773
where:
bonds (distance) C4'-P energy: -69.302
bonds (distance) P-C4' energy: -87.283
flat angles C4'-P-C4' energy: -90.483
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -89.373
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: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1033.909922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.909922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.909922 (E_RNA)
where:
Base-Base interactions energy: -660.484
where: short stacking energy: -298.561
Base-Backbone interact. energy: 4.089
local terms energy: -377.515104
where:
bonds (distance) C4'-P energy: -78.864
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -83.333
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: -69.612
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: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -913.657711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.657711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.657711 (E_RNA)
where:
Base-Base interactions energy: -593.370
where: short stacking energy: -273.546
Base-Backbone interact. energy: -1.938
local terms energy: -318.349911
where:
bonds (distance) C4'-P energy: -63.850
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -54.426
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: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -654.732142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.732142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.732142 (E_RNA)
where:
Base-Base interactions energy: -385.304
where: short stacking energy: -178.107
Base-Backbone interact. energy: 1.668
local terms energy: -271.096116
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -83.675
flat angles C4'-P-C4' energy: -71.414
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -479.275489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.275489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.275489 (E_RNA)
where:
Base-Base interactions energy: -223.497
where: short stacking energy: -119.416
Base-Backbone interact. energy: 5.875
local terms energy: -261.653752
where:
bonds (distance) C4'-P energy: -71.535
bonds (distance) P-C4' energy: -78.586
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -40.023
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: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1656.202971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.202971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.202971 (E_RNA)
where:
Base-Base interactions energy: -1168.264
where: short stacking energy: -522.507
Base-Backbone interact. energy: -0.881
local terms energy: -487.057546
where:
bonds (distance) C4'-P energy: -89.035
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -103.565
flat angles P-C4'-P energy: -58.109
tors. eta vs tors. theta energy: -150.857
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: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1556.538001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.538001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.538001 (E_RNA)
where:
Base-Base interactions energy: -1099.822
where: short stacking energy: -444.047
Base-Backbone interact. energy: 1.446
local terms energy: -458.162000
where:
bonds (distance) C4'-P energy: -91.777
bonds (distance) P-C4' energy: -84.654
flat angles C4'-P-C4' energy: -102.413
flat angles P-C4'-P energy: -58.027
tors. eta vs tors. theta energy: -121.292
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: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1503.196151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.196151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.196151 (E_RNA)
where:
Base-Base interactions energy: -1026.535
where: short stacking energy: -452.344
Base-Backbone interact. energy: -2.043
local terms energy: -474.618213
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -97.902
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -64.786
tors. eta vs tors. theta energy: -134.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1436.267580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.267580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.267580 (E_RNA)
where:
Base-Base interactions energy: -996.191
where: short stacking energy: -424.752
Base-Backbone interact. energy: -3.440
local terms energy: -436.637157
where:
bonds (distance) C4'-P energy: -89.004
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -91.912
flat angles P-C4'-P energy: -60.053
tors. eta vs tors. theta energy: -120.172
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: 159
Temperature: 1.100000
Total energy: -1328.965654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.965654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.965654 (E_RNA)
where:
Base-Base interactions energy: -918.313
where: short stacking energy: -410.918
Base-Backbone interact. energy: -1.640
local terms energy: -409.011886
where:
bonds (distance) C4'-P energy: -88.098
bonds (distance) P-C4' energy: -73.067
flat angles C4'-P-C4' energy: -82.380
flat angles P-C4'-P energy: -58.683
tors. eta vs tors. theta energy: -106.783
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: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1172.989652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.989652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.989652 (E_RNA)
where:
Base-Base interactions energy: -775.122
where: short stacking energy: -376.103
Base-Backbone interact. energy: -3.417
local terms energy: -394.450778
where:
bonds (distance) C4'-P energy: -71.586
bonds (distance) P-C4' energy: -85.319
flat angles C4'-P-C4' energy: -83.206
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -94.705
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: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1035.124697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.124697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.124697 (E_RNA)
where:
Base-Base interactions energy: -692.374
where: short stacking energy: -324.125
Base-Backbone interact. energy: 1.988
local terms energy: -344.739272
where:
bonds (distance) C4'-P energy: -85.605
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -79.689
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -82.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -870.626254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.626254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.626254 (E_RNA)
where:
Base-Base interactions energy: -532.785
where: short stacking energy: -221.029
Base-Backbone interact. energy: 0.312
local terms energy: -338.153258
where:
bonds (distance) C4'-P energy: -85.753
bonds (distance) P-C4' energy: -78.377
flat angles C4'-P-C4' energy: -66.495
flat angles P-C4'-P energy: -57.375
tors. eta vs tors. theta energy: -50.152
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: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -726.554934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.554934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.554934 (E_RNA)
where:
Base-Base interactions energy: -428.502
where: short stacking energy: -208.443
Base-Backbone interact. energy: -1.015
local terms energy: -297.037410
where:
bonds (distance) C4'-P energy: -75.812
bonds (distance) P-C4' energy: -90.084
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -10.394
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: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -486.879509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.879509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.879509 (E_RNA)
where:
Base-Base interactions energy: -241.297
where: short stacking energy: -145.802
Base-Backbone interact. energy: 3.983
local terms energy: -249.565943
where:
bonds (distance) C4'-P energy: -74.380
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -76.661
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -3.259
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: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1643.012386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.012386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.012386 (E_RNA)
where:
Base-Base interactions energy: -1153.831
where: short stacking energy: -524.498
Base-Backbone interact. energy: 2.699
local terms energy: -491.879888
where:
bonds (distance) C4'-P energy: -86.115
bonds (distance) P-C4' energy: -88.612
flat angles C4'-P-C4' energy: -112.642
flat angles P-C4'-P energy: -62.086
tors. eta vs tors. theta energy: -142.425
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: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1557.468247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.468247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.468247 (E_RNA)
where:
Base-Base interactions energy: -1085.679
where: short stacking energy: -444.904
Base-Backbone interact. energy: -1.117
local terms energy: -470.672573
where:
bonds (distance) C4'-P energy: -82.701
bonds (distance) P-C4' energy: -93.684
flat angles C4'-P-C4' energy: -102.998
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -130.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1502.993778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.993778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.993778 (E_RNA)
where:
Base-Base interactions energy: -1020.509
where: short stacking energy: -460.191
Base-Backbone interact. energy: -1.542
local terms energy: -480.942730
where:
bonds (distance) C4'-P energy: -91.141
bonds (distance) P-C4' energy: -86.901
flat angles C4'-P-C4' energy: -102.936
flat angles P-C4'-P energy: -68.696
tors. eta vs tors. theta energy: -131.269
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1390.655475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.655475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.655475 (E_RNA)
where:
Base-Base interactions energy: -941.889
where: short stacking energy: -429.416
Base-Backbone interact. energy: 0.519
local terms energy: -449.285196
where:
bonds (distance) C4'-P energy: -74.101
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -97.980
flat angles P-C4'-P energy: -68.923
tors. eta vs tors. theta energy: -121.507
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: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1370.929998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.929998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.929998 (E_RNA)
where:
Base-Base interactions energy: -923.956
where: short stacking energy: -417.556
Base-Backbone interact. energy: -1.151
local terms energy: -445.823120
where:
bonds (distance) C4'-P energy: -87.166
bonds (distance) P-C4' energy: -83.946
flat angles C4'-P-C4' energy: -93.889
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -115.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1136.508193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.508193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.508193 (E_RNA)
where:
Base-Base interactions energy: -763.729
where: short stacking energy: -360.326
Base-Backbone interact. energy: 0.052
local terms energy: -372.831663
where:
bonds (distance) C4'-P energy: -67.488
bonds (distance) P-C4' energy: -77.565
flat angles C4'-P-C4' energy: -91.227
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -88.406
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: 160
Temperature: 1.200000
Total energy: -1072.614242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.614242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.614242 (E_RNA)
where:
Base-Base interactions energy: -717.260
where: short stacking energy: -339.660
Base-Backbone interact. energy: 0.881
local terms energy: -356.234881
where:
bonds (distance) C4'-P energy: -72.967
bonds (distance) P-C4' energy: -83.671
flat angles C4'-P-C4' energy: -77.403
flat angles P-C4'-P energy: -47.459
tors. eta vs tors. theta energy: -74.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -947.976024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.976024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.976024 (E_RNA)
where:
Base-Base interactions energy: -600.919
where: short stacking energy: -259.224
Base-Backbone interact. energy: -1.439
local terms energy: -345.618676
where:
bonds (distance) C4'-P energy: -68.417
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -86.312
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -55.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -714.106405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.106405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.106405 (E_RNA)
where:
Base-Base interactions energy: -427.887
where: short stacking energy: -222.327
Base-Backbone interact. energy: -1.398
local terms energy: -284.822013
where:
bonds (distance) C4'-P energy: -68.660
bonds (distance) P-C4' energy: -74.667
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -39.625
tors. eta vs tors. theta energy: -25.054
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -546.990269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.990269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.990269 (E_RNA)
where:
Base-Base interactions energy: -251.832
where: short stacking energy: -169.871
Base-Backbone interact. energy: -0.860
local terms energy: -294.297860
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -82.676
flat angles C4'-P-C4' energy: -75.242
flat angles P-C4'-P energy: -44.327
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: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1648.942212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.942212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.942212 (E_RNA)
where:
Base-Base interactions energy: -1132.268
where: short stacking energy: -518.391
Base-Backbone interact. energy: -1.987
local terms energy: -514.687672
where:
bonds (distance) C4'-P energy: -92.232
bonds (distance) P-C4' energy: -95.861
flat angles C4'-P-C4' energy: -107.059
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -148.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1573.026745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.026745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.026745 (E_RNA)
where:
Base-Base interactions energy: -1098.061
where: short stacking energy: -469.733
Base-Backbone interact. energy: -1.846
local terms energy: -473.119372
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -95.812
flat angles C4'-P-C4' energy: -102.704
flat angles P-C4'-P energy: -64.767
tors. eta vs tors. theta energy: -133.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1490.468555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.468555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.468555 (E_RNA)
where:
Base-Base interactions energy: -1035.945
where: short stacking energy: -472.286
Base-Backbone interact. energy: -0.974
local terms energy: -453.549768
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -80.046
flat angles C4'-P-C4' energy: -96.662
flat angles P-C4'-P energy: -56.505
tors. eta vs tors. theta energy: -132.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1382.402782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.402782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.402782 (E_RNA)
where:
Base-Base interactions energy: -942.327
where: short stacking energy: -411.808
Base-Backbone interact. energy: -4.382
local terms energy: -435.693866
where:
bonds (distance) C4'-P energy: -92.003
bonds (distance) P-C4' energy: -86.398
flat angles C4'-P-C4' energy: -86.296
flat angles P-C4'-P energy: -56.505
tors. eta vs tors. theta energy: -114.492
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1374.135891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.135891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.135891 (E_RNA)
where:
Base-Base interactions energy: -920.302
where: short stacking energy: -416.853
Base-Backbone interact. energy: -2.015
local terms energy: -451.819742
where:
bonds (distance) C4'-P energy: -94.816
bonds (distance) P-C4' energy: -86.044
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -112.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1117.380335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.380335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.380335 (E_RNA)
where:
Base-Base interactions energy: -726.050
where: short stacking energy: -349.874
Base-Backbone interact. energy: -2.543
local terms energy: -388.787011
where:
bonds (distance) C4'-P energy: -79.563
bonds (distance) P-C4' energy: -76.215
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -63.352
tors. eta vs tors. theta energy: -77.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1072.414155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.414155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.414155 (E_RNA)
where:
Base-Base interactions energy: -706.609
where: short stacking energy: -321.880
Base-Backbone interact. energy: -5.075
local terms energy: -360.730266
where:
bonds (distance) C4'-P energy: -76.059
bonds (distance) P-C4' energy: -79.061
flat angles C4'-P-C4' energy: -84.439
flat angles P-C4'-P energy: -45.158
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: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -950.921209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.921209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.921209 (E_RNA)
where:
Base-Base interactions energy: -636.184
where: short stacking energy: -275.375
Base-Backbone interact. energy: -2.349
local terms energy: -312.388719
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -76.936
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -55.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -753.349233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.349233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.349233 (E_RNA)
where:
Base-Base interactions energy: -451.053
where: short stacking energy: -227.056
Base-Backbone interact. energy: 0.260
local terms energy: -302.556669
where:
bonds (distance) C4'-P energy: -83.090
bonds (distance) P-C4' energy: -79.840
flat angles C4'-P-C4' energy: -72.788
flat angles P-C4'-P energy: -36.863
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -548.940214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.940214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.940214 (E_RNA)
where:
Base-Base interactions energy: -272.523
where: short stacking energy: -175.366
Base-Backbone interact. energy: 5.032
local terms energy: -281.449254
where:
bonds (distance) C4'-P energy: -56.680
bonds (distance) P-C4' energy: -86.955
flat angles C4'-P-C4' energy: -78.275
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1635.102329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.102329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.102329 (E_RNA)
where:
Base-Base interactions energy: -1119.671
where: short stacking energy: -502.416
Base-Backbone interact. energy: -2.728
local terms energy: -512.703738
where:
bonds (distance) C4'-P energy: -95.323
bonds (distance) P-C4' energy: -88.774
flat angles C4'-P-C4' energy: -114.545
flat angles P-C4'-P energy: -67.033
tors. eta vs tors. theta energy: -147.029
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: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1576.624957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.624957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.624957 (E_RNA)
where:
Base-Base interactions energy: -1097.539
where: short stacking energy: -454.791
Base-Backbone interact. energy: -1.622
local terms energy: -477.463903
where:
bonds (distance) C4'-P energy: -84.623
bonds (distance) P-C4' energy: -92.747
flat angles C4'-P-C4' energy: -97.950
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -131.550
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1488.083243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.083243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.083243 (E_RNA)
where:
Base-Base interactions energy: -1025.561
where: short stacking energy: -473.909
Base-Backbone interact. energy: -1.562
local terms energy: -460.960086
where:
bonds (distance) C4'-P energy: -91.686
bonds (distance) P-C4' energy: -88.812
flat angles C4'-P-C4' energy: -95.713
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -134.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1383.085039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.085039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.085039 (E_RNA)
where:
Base-Base interactions energy: -955.749
where: short stacking energy: -424.997
Base-Backbone interact. energy: 0.374
local terms energy: -427.709880
where:
bonds (distance) C4'-P energy: -85.028
bonds (distance) P-C4' energy: -90.661
flat angles C4'-P-C4' energy: -91.659
flat angles P-C4'-P energy: -56.404
tors. eta vs tors. theta energy: -103.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1364.697293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.697293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.697293 (E_RNA)
where:
Base-Base interactions energy: -941.047
where: short stacking energy: -425.291
Base-Backbone interact. energy: -0.314
local terms energy: -423.336319
where:
bonds (distance) C4'-P energy: -62.367
bonds (distance) P-C4' energy: -82.747
flat angles C4'-P-C4' energy: -109.124
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -107.207
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: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1172.204808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.204808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.204808 (E_RNA)
where:
Base-Base interactions energy: -757.473
where: short stacking energy: -357.987
Base-Backbone interact. energy: -0.084
local terms energy: -414.647468
where:
bonds (distance) C4'-P energy: -81.255
bonds (distance) P-C4' energy: -85.255
flat angles C4'-P-C4' energy: -81.771
flat angles P-C4'-P energy: -63.345
tors. eta vs tors. theta energy: -103.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1086.713645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.713645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.713645 (E_RNA)
where:
Base-Base interactions energy: -705.226
where: short stacking energy: -316.860
Base-Backbone interact. energy: -1.094
local terms energy: -380.393874
where:
bonds (distance) C4'-P energy: -69.871
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -87.453
flat angles P-C4'-P energy: -53.622
tors. eta vs tors. theta energy: -82.125
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: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -980.550049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.550049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.550049 (E_RNA)
where:
Base-Base interactions energy: -665.810
where: short stacking energy: -259.751
Base-Backbone interact. energy: -4.028
local terms energy: -310.712160
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -49.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -789.600333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.600333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.600333 (E_RNA)
where:
Base-Base interactions energy: -458.533
where: short stacking energy: -248.693
Base-Backbone interact. energy: -1.361
local terms energy: -329.705800
where:
bonds (distance) C4'-P energy: -73.976
bonds (distance) P-C4' energy: -76.180
flat angles C4'-P-C4' energy: -79.679
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -55.786
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -506.095215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.095215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.095215 (E_RNA)
where:
Base-Base interactions energy: -249.972
where: short stacking energy: -138.284
Base-Backbone interact. energy: 0.335
local terms energy: -256.457976
where:
bonds (distance) C4'-P energy: -84.543
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -63.793
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: 1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1636.874397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.874397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.874397 (E_RNA)
where:
Base-Base interactions energy: -1125.883
where: short stacking energy: -498.137
Base-Backbone interact. energy: -0.619
local terms energy: -510.372918
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -106.730
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -145.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1589.493528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.493528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.493528 (E_RNA)
where:
Base-Base interactions energy: -1131.817
where: short stacking energy: -472.158
Base-Backbone interact. energy: -0.249
local terms energy: -457.427701
where:
bonds (distance) C4'-P energy: -82.237
bonds (distance) P-C4' energy: -76.172
flat angles C4'-P-C4' energy: -105.252
flat angles P-C4'-P energy: -62.726
tors. eta vs tors. theta energy: -131.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1482.037324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.037324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.037324 (E_RNA)
where:
Base-Base interactions energy: -1013.095
where: short stacking energy: -459.282
Base-Backbone interact. energy: -1.058
local terms energy: -467.884238
where:
bonds (distance) C4'-P energy: -85.661
bonds (distance) P-C4' energy: -86.423
flat angles C4'-P-C4' energy: -95.525
flat angles P-C4'-P energy: -67.493
tors. eta vs tors. theta energy: -132.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1430.942738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.942738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.942738 (E_RNA)
where:
Base-Base interactions energy: -987.371
where: short stacking energy: -460.229
Base-Backbone interact. energy: -1.676
local terms energy: -441.894887
where:
bonds (distance) C4'-P energy: -76.132
bonds (distance) P-C4' energy: -87.085
flat angles C4'-P-C4' energy: -94.781
flat angles P-C4'-P energy: -48.982
tors. eta vs tors. theta energy: -134.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1347.443144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.443144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.443144 (E_RNA)
where:
Base-Base interactions energy: -926.681
where: short stacking energy: -409.597
Base-Backbone interact. energy: -1.205
local terms energy: -419.556508
where:
bonds (distance) C4'-P energy: -70.543
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -102.983
flat angles P-C4'-P energy: -62.362
tors. eta vs tors. theta energy: -103.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1175.011712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.011712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.011712 (E_RNA)
where:
Base-Base interactions energy: -771.417
where: short stacking energy: -341.116
Base-Backbone interact. energy: -0.424
local terms energy: -403.170907
where:
bonds (distance) C4'-P energy: -85.615
bonds (distance) P-C4' energy: -89.635
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -55.233
tors. eta vs tors. theta energy: -90.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1038.209554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.209554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.209554 (E_RNA)
where:
Base-Base interactions energy: -684.012
where: short stacking energy: -294.511
Base-Backbone interact. energy: -1.761
local terms energy: -352.436140
where:
bonds (distance) C4'-P energy: -76.604
bonds (distance) P-C4' energy: -74.263
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -60.391
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: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -957.875155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.875155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.875155 (E_RNA)
where:
Base-Base interactions energy: -643.513
where: short stacking energy: -288.542
Base-Backbone interact. energy: -0.555
local terms energy: -313.807110
where:
bonds (distance) C4'-P energy: -59.683
bonds (distance) P-C4' energy: -78.676
flat angles C4'-P-C4' energy: -69.367
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -65.996
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: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -746.522265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.522265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.522265 (E_RNA)
where:
Base-Base interactions energy: -450.338
where: short stacking energy: -220.447
Base-Backbone interact. energy: 0.083
local terms energy: -296.267201
where:
bonds (distance) C4'-P energy: -81.005
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -38.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -555.138542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.138542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.138542 (E_RNA)
where:
Base-Base interactions energy: -298.996
where: short stacking energy: -186.354
Base-Backbone interact. energy: 6.087
local terms energy: -262.228870
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -74.600
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -50.210
tors. eta vs tors. theta energy: -11.784
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: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1654.186786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.186786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.186786 (E_RNA)
where:
Base-Base interactions energy: -1144.911
where: short stacking energy: -529.192
Base-Backbone interact. energy: -0.510
local terms energy: -508.765578
where:
bonds (distance) C4'-P energy: -83.201
bonds (distance) P-C4' energy: -89.850
flat angles C4'-P-C4' energy: -106.273
flat angles P-C4'-P energy: -75.813
tors. eta vs tors. theta energy: -153.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1547.885804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.885804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.885804 (E_RNA)
where:
Base-Base interactions energy: -1067.262
where: short stacking energy: -447.320
Base-Backbone interact. energy: -1.864
local terms energy: -478.760430
where:
bonds (distance) C4'-P energy: -89.092
bonds (distance) P-C4' energy: -94.042
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -118.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1483.922524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.922524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.922524 (E_RNA)
where:
Base-Base interactions energy: -1015.269
where: short stacking energy: -456.655
Base-Backbone interact. energy: 1.984
local terms energy: -470.638169
where:
bonds (distance) C4'-P energy: -94.630
bonds (distance) P-C4' energy: -88.564
flat angles C4'-P-C4' energy: -94.540
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -126.599
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1424.173278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.173278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.173278 (E_RNA)
where:
Base-Base interactions energy: -969.003
where: short stacking energy: -428.403
Base-Backbone interact. energy: -1.269
local terms energy: -453.901172
where:
bonds (distance) C4'-P energy: -85.860
bonds (distance) P-C4' energy: -90.827
flat angles C4'-P-C4' energy: -93.186
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -115.021
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: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1339.984634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.984634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.984634 (E_RNA)
where:
Base-Base interactions energy: -927.007
where: short stacking energy: -404.585
Base-Backbone interact. energy: 1.347
local terms energy: -414.324303
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -80.497
flat angles C4'-P-C4' energy: -85.708
flat angles P-C4'-P energy: -61.847
tors. eta vs tors. theta energy: -104.335
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: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1108.545299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.545299 (E_RNA)
where:
Base-Base interactions energy: -717.258
where: short stacking energy: -356.700
Base-Backbone interact. energy: 2.363
local terms energy: -393.649608
where:
bonds (distance) C4'-P energy: -87.821
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -89.367
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -83.220
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: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1061.885839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.885839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.885839 (E_RNA)
where:
Base-Base interactions energy: -687.169
where: short stacking energy: -331.159
Base-Backbone interact. energy: -0.917
local terms energy: -373.799893
where:
bonds (distance) C4'-P energy: -79.851
bonds (distance) P-C4' energy: -74.716
flat angles C4'-P-C4' energy: -89.859
flat angles P-C4'-P energy: -55.764
tors. eta vs tors. theta energy: -73.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -912.018517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.018517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.018517 (E_RNA)
where:
Base-Base interactions energy: -588.086
where: short stacking energy: -223.842
Base-Backbone interact. energy: 5.813
local terms energy: -329.745104
where:
bonds (distance) C4'-P energy: -69.664
bonds (distance) P-C4' energy: -82.728
flat angles C4'-P-C4' energy: -81.043
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -39.582
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: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -778.640383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.640383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.640383 (E_RNA)
where:
Base-Base interactions energy: -481.024
where: short stacking energy: -233.574
Base-Backbone interact. energy: -0.911
local terms energy: -296.704921
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -68.617
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -41.536
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: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -516.326440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.326440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.326440 (E_RNA)
where:
Base-Base interactions energy: -263.837
where: short stacking energy: -165.271
Base-Backbone interact. energy: 2.690
local terms energy: -255.179285
where:
bonds (distance) C4'-P energy: -63.453
bonds (distance) P-C4' energy: -69.508
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -18.576
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: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1657.693549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.693549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.693549 (E_RNA)
where:
Base-Base interactions energy: -1139.169
where: short stacking energy: -523.374
Base-Backbone interact. energy: -0.100
local terms energy: -518.424864
where:
bonds (distance) C4'-P energy: -95.218
bonds (distance) P-C4' energy: -92.723
flat angles C4'-P-C4' energy: -106.069
flat angles P-C4'-P energy: -74.857
tors. eta vs tors. theta energy: -149.558
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: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1553.507167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.507167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.507167 (E_RNA)
where:
Base-Base interactions energy: -1087.316
where: short stacking energy: -435.931
Base-Backbone interact. energy: -0.450
local terms energy: -465.741089
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -96.439
flat angles P-C4'-P energy: -59.781
tors. eta vs tors. theta energy: -120.434
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: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1479.925313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.925313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.925313 (E_RNA)
where:
Base-Base interactions energy: -1035.210
where: short stacking energy: -472.168
Base-Backbone interact. energy: -2.822
local terms energy: -441.893315
where:
bonds (distance) C4'-P energy: -71.959
bonds (distance) P-C4' energy: -79.764
flat angles C4'-P-C4' energy: -93.988
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: -132.321
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: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1408.595308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.595308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.595308 (E_RNA)
where:
Base-Base interactions energy: -956.828
where: short stacking energy: -423.246
Base-Backbone interact. energy: 0.046
local terms energy: -451.813877
where:
bonds (distance) C4'-P energy: -87.987
bonds (distance) P-C4' energy: -90.197
flat angles C4'-P-C4' energy: -94.264
flat angles P-C4'-P energy: -66.444
tors. eta vs tors. theta energy: -112.921
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: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1354.236157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.236157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.236157 (E_RNA)
where:
Base-Base interactions energy: -901.349
where: short stacking energy: -405.809
Base-Backbone interact. energy: -0.069
local terms energy: -452.818066
where:
bonds (distance) C4'-P energy: -81.043
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -101.239
flat angles P-C4'-P energy: -71.680
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: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1111.455321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.455321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.455321 (E_RNA)
where:
Base-Base interactions energy: -690.185
where: short stacking energy: -326.886
Base-Backbone interact. energy: -1.970
local terms energy: -419.299812
where:
bonds (distance) C4'-P energy: -85.494
bonds (distance) P-C4' energy: -99.805
flat angles C4'-P-C4' energy: -83.120
flat angles P-C4'-P energy: -64.422
tors. eta vs tors. theta energy: -86.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1057.325003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.325003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.325003 (E_RNA)
where:
Base-Base interactions energy: -693.595
where: short stacking energy: -297.009
Base-Backbone interact. energy: -1.545
local terms energy: -362.184960
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -79.808
flat angles C4'-P-C4' energy: -82.893
flat angles P-C4'-P energy: -55.305
tors. eta vs tors. theta energy: -76.420
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: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -935.297724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.297724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.297724 (E_RNA)
where:
Base-Base interactions energy: -587.414
where: short stacking energy: -276.051
Base-Backbone interact. energy: -1.162
local terms energy: -346.721693
where:
bonds (distance) C4'-P energy: -73.074
bonds (distance) P-C4' energy: -95.472
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: -49.865
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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -861.015243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.015243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.015243 (E_RNA)
where:
Base-Base interactions energy: -530.178
where: short stacking energy: -266.792
Base-Backbone interact. energy: -1.790
local terms energy: -329.046761
where:
bonds (distance) C4'-P energy: -58.672
bonds (distance) P-C4' energy: -75.016
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -61.445
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -497.628392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.628392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.628392 (E_RNA)
where:
Base-Base interactions energy: -265.740
where: short stacking energy: -156.014
Base-Backbone interact. energy: 1.179
local terms energy: -233.067694
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -74.587
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -40.015
tors. eta vs tors. theta energy: 9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1646.585365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.585365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.585365 (E_RNA)
where:
Base-Base interactions energy: -1123.613
where: short stacking energy: -480.564
Base-Backbone interact. energy: 1.427
local terms energy: -524.399280
where:
bonds (distance) C4'-P energy: -100.044
bonds (distance) P-C4' energy: -100.571
flat angles C4'-P-C4' energy: -105.044
flat angles P-C4'-P energy: -72.511
tors. eta vs tors. theta energy: -146.230
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: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1565.400049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.400049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.400049 (E_RNA)
where:
Base-Base interactions energy: -1093.919
where: short stacking energy: -474.012
Base-Backbone interact. energy: -3.858
local terms energy: -467.622506
where:
bonds (distance) C4'-P energy: -80.703
bonds (distance) P-C4' energy: -85.688
flat angles C4'-P-C4' energy: -102.851
flat angles P-C4'-P energy: -66.574
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: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1471.575595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.575595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.575595 (E_RNA)
where:
Base-Base interactions energy: -1009.765
where: short stacking energy: -454.820
Base-Backbone interact. energy: -2.203
local terms energy: -459.607836
where:
bonds (distance) C4'-P energy: -89.987
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -132.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1455.611910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.611910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.611910 (E_RNA)
where:
Base-Base interactions energy: -1019.167
where: short stacking energy: -457.451
Base-Backbone interact. energy: -0.531
local terms energy: -435.913759
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -73.773
flat angles C4'-P-C4' energy: -97.777
flat angles P-C4'-P energy: -69.961
tors. eta vs tors. theta energy: -126.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1393.339972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.339972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.339972 (E_RNA)
where:
Base-Base interactions energy: -953.308
where: short stacking energy: -432.689
Base-Backbone interact. energy: -1.773
local terms energy: -438.258679
where:
bonds (distance) C4'-P energy: -88.035
bonds (distance) P-C4' energy: -83.768
flat angles C4'-P-C4' energy: -98.810
flat angles P-C4'-P energy: -56.549
tors. eta vs tors. theta energy: -111.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1099.215699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.215699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.215699 (E_RNA)
where:
Base-Base interactions energy: -712.354
where: short stacking energy: -331.100
Base-Backbone interact. energy: -2.431
local terms energy: -384.431271
where:
bonds (distance) C4'-P energy: -92.298
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -88.548
flat angles P-C4'-P energy: -56.990
tors. eta vs tors. theta energy: -74.304
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: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1038.401234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.401234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.401234 (E_RNA)
where:
Base-Base interactions energy: -687.621
where: short stacking energy: -339.527
Base-Backbone interact. energy: 0.586
local terms energy: -351.367051
where:
bonds (distance) C4'-P energy: -80.970
bonds (distance) P-C4' energy: -88.742
flat angles C4'-P-C4' energy: -71.185
flat angles P-C4'-P energy: -40.638
tors. eta vs tors. theta energy: -69.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -924.713917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.713917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.713917 (E_RNA)
where:
Base-Base interactions energy: -581.201
where: short stacking energy: -252.912
Base-Backbone interact. energy: -1.401
local terms energy: -342.112065
where:
bonds (distance) C4'-P energy: -74.120
bonds (distance) P-C4' energy: -81.252
flat angles C4'-P-C4' energy: -86.186
flat angles P-C4'-P energy: -56.526
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -753.427617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.427617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.427617 (E_RNA)
where:
Base-Base interactions energy: -463.269
where: short stacking energy: -221.742
Base-Backbone interact. energy: 1.481
local terms energy: -291.639650
where:
bonds (distance) C4'-P energy: -59.098
bonds (distance) P-C4' energy: -86.727
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -40.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -522.019557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.019557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.019557 (E_RNA)
where:
Base-Base interactions energy: -287.296
where: short stacking energy: -166.947
Base-Backbone interact. energy: -2.110
local terms energy: -232.613337
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -63.970
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -30.396
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: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1644.241559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.241559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.241559 (E_RNA)
where:
Base-Base interactions energy: -1122.039
where: short stacking energy: -499.024
Base-Backbone interact. energy: -1.485
local terms energy: -520.717653
where:
bonds (distance) C4'-P energy: -94.766
bonds (distance) P-C4' energy: -102.329
flat angles C4'-P-C4' energy: -110.907
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -139.746
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: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1581.250609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.250609 (E_RNA)
where:
Base-Base interactions energy: -1100.951
where: short stacking energy: -466.969
Base-Backbone interact. energy: -3.027
local terms energy: -477.272500
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -92.339
flat angles C4'-P-C4' energy: -104.274
flat angles P-C4'-P energy: -68.959
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1451.892419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.892419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.892419 (E_RNA)
where:
Base-Base interactions energy: -984.863
where: short stacking energy: -426.458
Base-Backbone interact. energy: -1.423
local terms energy: -465.606329
where:
bonds (distance) C4'-P energy: -84.922
bonds (distance) P-C4' energy: -98.040
flat angles C4'-P-C4' energy: -93.401
flat angles P-C4'-P energy: -65.575
tors. eta vs tors. theta energy: -123.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1406.216586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.216586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.216586 (E_RNA)
where:
Base-Base interactions energy: -969.252
where: short stacking energy: -436.324
Base-Backbone interact. energy: -2.225
local terms energy: -434.739398
where:
bonds (distance) C4'-P energy: -83.426
bonds (distance) P-C4' energy: -86.884
flat angles C4'-P-C4' energy: -88.881
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -122.095
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: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1363.296268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.296268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.296268 (E_RNA)
where:
Base-Base interactions energy: -935.952
where: short stacking energy: -411.711
Base-Backbone interact. energy: 2.936
local terms energy: -430.280900
where:
bonds (distance) C4'-P energy: -73.109
bonds (distance) P-C4' energy: -83.415
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -64.305
tors. eta vs tors. theta energy: -108.672
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: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1063.176053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.176053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.176053 (E_RNA)
where:
Base-Base interactions energy: -673.294
where: short stacking energy: -292.653
Base-Backbone interact. energy: -1.305
local terms energy: -388.576736
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -99.581
flat angles C4'-P-C4' energy: -90.296
flat angles P-C4'-P energy: -52.087
tors. eta vs tors. theta energy: -63.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1069.892534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.892534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.892534 (E_RNA)
where:
Base-Base interactions energy: -706.930
where: short stacking energy: -340.666
Base-Backbone interact. energy: 2.223
local terms energy: -365.184967
where:
bonds (distance) C4'-P energy: -88.788
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -77.807
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -72.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -882.410008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.410008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.410008 (E_RNA)
where:
Base-Base interactions energy: -566.255
where: short stacking energy: -254.676
Base-Backbone interact. energy: -0.516
local terms energy: -315.638753
where:
bonds (distance) C4'-P energy: -80.853
bonds (distance) P-C4' energy: -69.635
flat angles C4'-P-C4' energy: -71.182
flat angles P-C4'-P energy: -53.876
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -757.594902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.594902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.594902 (E_RNA)
where:
Base-Base interactions energy: -476.635
where: short stacking energy: -216.944
Base-Backbone interact. energy: -2.212
local terms energy: -278.748128
where:
bonds (distance) C4'-P energy: -69.890
bonds (distance) P-C4' energy: -69.766
flat angles C4'-P-C4' energy: -69.113
flat angles P-C4'-P energy: -50.087
tors. eta vs tors. theta energy: -19.892
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: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -465.397879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.397879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.397879 (E_RNA)
where:
Base-Base interactions energy: -210.982
where: short stacking energy: -131.310
Base-Backbone interact. energy: -0.944
local terms energy: -253.471826
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -71.710
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1630.127241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.127241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.127241 (E_RNA)
where:
Base-Base interactions energy: -1123.382
where: short stacking energy: -511.620
Base-Backbone interact. energy: -1.364
local terms energy: -505.381544
where:
bonds (distance) C4'-P energy: -85.184
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -112.216
flat angles P-C4'-P energy: -65.659
tors. eta vs tors. theta energy: -150.439
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: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1585.926048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.926048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.926048 (E_RNA)
where:
Base-Base interactions energy: -1112.935
where: short stacking energy: -460.747
Base-Backbone interact. energy: -1.430
local terms energy: -471.560317
where:
bonds (distance) C4'-P energy: -85.700
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -109.311
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -115.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1468.539028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.539028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.539028 (E_RNA)
where:
Base-Base interactions energy: -997.496
where: short stacking energy: -439.644
Base-Backbone interact. energy: 1.730
local terms energy: -472.773036
where:
bonds (distance) C4'-P energy: -79.305
bonds (distance) P-C4' energy: -94.647
flat angles C4'-P-C4' energy: -104.173
flat angles P-C4'-P energy: -73.629
tors. eta vs tors. theta energy: -121.020
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: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1455.733007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.733007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.733007 (E_RNA)
where:
Base-Base interactions energy: -996.864
where: short stacking energy: -455.479
Base-Backbone interact. energy: -1.620
local terms energy: -457.248244
where:
bonds (distance) C4'-P energy: -87.146
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -101.635
flat angles P-C4'-P energy: -59.919
tors. eta vs tors. theta energy: -122.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1353.554972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.554972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.554972 (E_RNA)
where:
Base-Base interactions energy: -919.862
where: short stacking energy: -422.540
Base-Backbone interact. energy: -0.892
local terms energy: -432.800489
where:
bonds (distance) C4'-P energy: -79.488
bonds (distance) P-C4' energy: -75.804
flat angles C4'-P-C4' energy: -97.705
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -116.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1122.283032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.283032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.283032 (E_RNA)
where:
Base-Base interactions energy: -739.840
where: short stacking energy: -345.532
Base-Backbone interact. energy: -1.659
local terms energy: -380.783136
where:
bonds (distance) C4'-P energy: -71.155
bonds (distance) P-C4' energy: -77.465
flat angles C4'-P-C4' energy: -86.154
flat angles P-C4'-P energy: -49.675
tors. eta vs tors. theta energy: -96.334
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -963.925444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.925444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.925444 (E_RNA)
where:
Base-Base interactions energy: -632.371
where: short stacking energy: -270.726
Base-Backbone interact. energy: -2.910
local terms energy: -328.644336
where:
bonds (distance) C4'-P energy: -70.615
bonds (distance) P-C4' energy: -78.256
flat angles C4'-P-C4' energy: -76.578
flat angles P-C4'-P energy: -51.276
tors. eta vs tors. theta energy: -51.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -921.751338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.751338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.751338 (E_RNA)
where:
Base-Base interactions energy: -583.888
where: short stacking energy: -281.326
Base-Backbone interact. energy: -2.036
local terms energy: -335.827815
where:
bonds (distance) C4'-P energy: -71.773
bonds (distance) P-C4' energy: -68.724
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -57.680
tors. eta vs tors. theta energy: -59.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -868.600883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.600883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.600883 (E_RNA)
where:
Base-Base interactions energy: -560.610
where: short stacking energy: -267.998
Base-Backbone interact. energy: -1.555
local terms energy: -306.435406
where:
bonds (distance) C4'-P energy: -68.408
bonds (distance) P-C4' energy: -82.048
flat angles C4'-P-C4' energy: -54.852
flat angles P-C4'-P energy: -52.305
tors. eta vs tors. theta energy: -48.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -491.479058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.479058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.479058 (E_RNA)
where:
Base-Base interactions energy: -242.580
where: short stacking energy: -155.579
Base-Backbone interact. energy: 2.764
local terms energy: -251.663106
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: 1.099
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1641.656864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.656864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.656864 (E_RNA)
where:
Base-Base interactions energy: -1126.427
where: short stacking energy: -509.762
Base-Backbone interact. energy: -1.369
local terms energy: -513.860903
where:
bonds (distance) C4'-P energy: -94.025
bonds (distance) P-C4' energy: -101.514
flat angles C4'-P-C4' energy: -104.570
flat angles P-C4'-P energy: -63.692
tors. eta vs tors. theta energy: -150.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1586.292929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.292929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.292929 (E_RNA)
where:
Base-Base interactions energy: -1128.465
where: short stacking energy: -435.310
Base-Backbone interact. energy: -2.942
local terms energy: -454.885447
where:
bonds (distance) C4'-P energy: -71.213
bonds (distance) P-C4' energy: -84.065
flat angles C4'-P-C4' energy: -103.167
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -117.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1524.850174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.850174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.850174 (E_RNA)
where:
Base-Base interactions energy: -1044.694
where: short stacking energy: -482.820
Base-Backbone interact. energy: -0.277
local terms energy: -479.879152
where:
bonds (distance) C4'-P energy: -88.549
bonds (distance) P-C4' energy: -87.070
flat angles C4'-P-C4' energy: -104.771
flat angles P-C4'-P energy: -69.339
tors. eta vs tors. theta energy: -130.151
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: 169
Temperature: 1.050000
Total energy: -1463.748713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.748713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.748713 (E_RNA)
where:
Base-Base interactions energy: -993.152
where: short stacking energy: -420.050
Base-Backbone interact. energy: -0.287
local terms energy: -470.309470
where:
bonds (distance) C4'-P energy: -92.868
bonds (distance) P-C4' energy: -81.151
flat angles C4'-P-C4' energy: -101.299
flat angles P-C4'-P energy: -68.718
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: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1368.361915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.361915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.361915 (E_RNA)
where:
Base-Base interactions energy: -925.909
where: short stacking energy: -392.092
Base-Backbone interact. energy: -0.831
local terms energy: -441.622122
where:
bonds (distance) C4'-P energy: -95.557
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -81.943
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -111.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1090.062413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.062413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.062413 (E_RNA)
where:
Base-Base interactions energy: -727.993
where: short stacking energy: -291.408
Base-Backbone interact. energy: -3.703
local terms energy: -358.366001
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -70.713
flat angles C4'-P-C4' energy: -88.483
flat angles P-C4'-P energy: -58.068
tors. eta vs tors. theta energy: -74.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1048.743538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.743538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.743538 (E_RNA)
where:
Base-Base interactions energy: -697.637
where: short stacking energy: -303.091
Base-Backbone interact. energy: -0.634
local terms energy: -350.472949
where:
bonds (distance) C4'-P energy: -81.252
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -76.537
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -57.443
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: 169
Temperature: 1.250000
Total energy: -956.487350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.487350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.487350 (E_RNA)
where:
Base-Base interactions energy: -607.279
where: short stacking energy: -296.997
Base-Backbone interact. energy: -2.619
local terms energy: -346.589647
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -80.047
flat angles C4'-P-C4' energy: -70.555
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -69.669
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: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -804.587782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.587782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.587782 (E_RNA)
where:
Base-Base interactions energy: -497.947
where: short stacking energy: -236.682
Base-Backbone interact. energy: 4.726
local terms energy: -311.366889
where:
bonds (distance) C4'-P energy: -88.368
bonds (distance) P-C4' energy: -78.013
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -56.633
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -547.242993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.242993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.242993 (E_RNA)
where:
Base-Base interactions energy: -283.512
where: short stacking energy: -172.171
Base-Backbone interact. energy: 7.337
local terms energy: -271.068219
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -77.188
flat angles C4'-P-C4' energy: -71.823
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -16.677
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: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1668.165576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.165576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.165576 (E_RNA)
where:
Base-Base interactions energy: -1146.049
where: short stacking energy: -514.821
Base-Backbone interact. energy: -0.937
local terms energy: -521.179370
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -92.289
flat angles C4'-P-C4' energy: -116.183
flat angles P-C4'-P energy: -72.712
tors. eta vs tors. theta energy: -144.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1588.805539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.805539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.805539 (E_RNA)
where:
Base-Base interactions energy: -1124.832
where: short stacking energy: -457.308
Base-Backbone interact. energy: -1.117
local terms energy: -462.856576
where:
bonds (distance) C4'-P energy: -83.372
bonds (distance) P-C4' energy: -92.908
flat angles C4'-P-C4' energy: -103.058
flat angles P-C4'-P energy: -63.657
tors. eta vs tors. theta energy: -119.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1519.772260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.772260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.772260 (E_RNA)
where:
Base-Base interactions energy: -1050.432
where: short stacking energy: -489.180
Base-Backbone interact. energy: 1.682
local terms energy: -471.022243
where:
bonds (distance) C4'-P energy: -85.793
bonds (distance) P-C4' energy: -89.488
flat angles C4'-P-C4' energy: -98.994
flat angles P-C4'-P energy: -65.146
tors. eta vs tors. theta energy: -131.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1436.730859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.730859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.730859 (E_RNA)
where:
Base-Base interactions energy: -993.210
where: short stacking energy: -450.343
Base-Backbone interact. energy: -3.137
local terms energy: -440.384084
where:
bonds (distance) C4'-P energy: -81.287
bonds (distance) P-C4' energy: -85.637
flat angles C4'-P-C4' energy: -95.830
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -118.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1331.160737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.160737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.160737 (E_RNA)
where:
Base-Base interactions energy: -901.535
where: short stacking energy: -398.100
Base-Backbone interact. energy: -0.421
local terms energy: -429.204808
where:
bonds (distance) C4'-P energy: -71.292
bonds (distance) P-C4' energy: -98.310
flat angles C4'-P-C4' energy: -92.959
flat angles P-C4'-P energy: -56.952
tors. eta vs tors. theta energy: -109.692
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: 170
Temperature: 1.150000
Total energy: -1125.451096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.451096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.451096 (E_RNA)
where:
Base-Base interactions energy: -729.540
where: short stacking energy: -320.646
Base-Backbone interact. energy: -1.521
local terms energy: -394.389734
where:
bonds (distance) C4'-P energy: -81.040
bonds (distance) P-C4' energy: -78.396
flat angles C4'-P-C4' energy: -93.105
flat angles P-C4'-P energy: -60.726
tors. eta vs tors. theta energy: -81.122
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: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1005.797364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.797364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.797364 (E_RNA)
where:
Base-Base interactions energy: -663.023
where: short stacking energy: -295.392
Base-Backbone interact. energy: -1.702
local terms energy: -341.072796
where:
bonds (distance) C4'-P energy: -69.945
bonds (distance) P-C4' energy: -72.643
flat angles C4'-P-C4' energy: -82.867
flat angles P-C4'-P energy: -65.199
tors. eta vs tors. theta energy: -50.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -971.505962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.505962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.505962 (E_RNA)
where:
Base-Base interactions energy: -626.760
where: short stacking energy: -312.241
Base-Backbone interact. energy: -2.036
local terms energy: -342.710076
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -93.995
flat angles C4'-P-C4' energy: -70.244
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -67.606
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: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -827.111886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.111886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.111886 (E_RNA)
where:
Base-Base interactions energy: -488.303
where: short stacking energy: -254.867
Base-Backbone interact. energy: 2.295
local terms energy: -341.103812
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -79.830
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -39.536
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: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -489.063642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.063642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.063642 (E_RNA)
where:
Base-Base interactions energy: -232.295
where: short stacking energy: -149.115
Base-Backbone interact. energy: 1.617
local terms energy: -258.385153
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -85.354
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -49.040
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1656.823746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.823746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.823746 (E_RNA)
where:
Base-Base interactions energy: -1147.069
where: short stacking energy: -520.642
Base-Backbone interact. energy: -1.423
local terms energy: -508.332004
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -91.477
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -80.380
tors. eta vs tors. theta energy: -146.885
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: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1538.877796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.877796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.877796 (E_RNA)
where:
Base-Base interactions energy: -1065.364
where: short stacking energy: -468.658
Base-Backbone interact. energy: 1.280
local terms energy: -474.793870
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -103.811
flat angles P-C4'-P energy: -69.571
tors. eta vs tors. theta energy: -137.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1554.954892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.954892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.954892 (E_RNA)
where:
Base-Base interactions energy: -1104.184
where: short stacking energy: -449.835
Base-Backbone interact. energy: -0.692
local terms energy: -450.078940
where:
bonds (distance) C4'-P energy: -84.535
bonds (distance) P-C4' energy: -86.613
flat angles C4'-P-C4' energy: -108.090
flat angles P-C4'-P energy: -48.686
tors. eta vs tors. theta energy: -122.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1411.748409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.748409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.748409 (E_RNA)
where:
Base-Base interactions energy: -984.444
where: short stacking energy: -436.538
Base-Backbone interact. energy: -4.833
local terms energy: -422.471493
where:
bonds (distance) C4'-P energy: -72.005
bonds (distance) P-C4' energy: -96.540
flat angles C4'-P-C4' energy: -89.224
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -119.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1386.514481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.514481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.514481 (E_RNA)
where:
Base-Base interactions energy: -933.660
where: short stacking energy: -418.330
Base-Backbone interact. energy: -1.421
local terms energy: -451.433215
where:
bonds (distance) C4'-P energy: -76.840
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -99.131
flat angles P-C4'-P energy: -64.955
tors. eta vs tors. theta energy: -112.298
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: 171
Temperature: 1.150000
Total energy: -1128.601657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.601657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.601657 (E_RNA)
where:
Base-Base interactions energy: -744.998
where: short stacking energy: -332.206
Base-Backbone interact. energy: -0.272
local terms energy: -383.331495
where:
bonds (distance) C4'-P energy: -74.343
bonds (distance) P-C4' energy: -77.207
flat angles C4'-P-C4' energy: -88.874
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: -86.688
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: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -975.636479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.636479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.636479 (E_RNA)
where:
Base-Base interactions energy: -608.373
where: short stacking energy: -295.700
Base-Backbone interact. energy: -1.447
local terms energy: -365.816435
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -81.942
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -60.972
tors. eta vs tors. theta energy: -64.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -876.841279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.841279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.841279 (E_RNA)
where:
Base-Base interactions energy: -535.114
where: short stacking energy: -238.709
Base-Backbone interact. energy: -1.806
local terms energy: -339.920858
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -51.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -770.891861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.891861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.891861 (E_RNA)
where:
Base-Base interactions energy: -478.378
where: short stacking energy: -241.292
Base-Backbone interact. energy: -0.955
local terms energy: -291.559378
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -73.759
flat angles C4'-P-C4' energy: -71.374
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -38.767
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -525.328365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.328365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.328365 (E_RNA)
where:
Base-Base interactions energy: -274.783
where: short stacking energy: -141.006
Base-Backbone interact. energy: 2.109
local terms energy: -252.654219
where:
bonds (distance) C4'-P energy: -79.872
bonds (distance) P-C4' energy: -76.297
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: 12.074
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: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1649.705587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.705587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.705587 (E_RNA)
where:
Base-Base interactions energy: -1132.510
where: short stacking energy: -526.482
Base-Backbone interact. energy: -1.276
local terms energy: -515.919182
where:
bonds (distance) C4'-P energy: -82.941
bonds (distance) P-C4' energy: -101.889
flat angles C4'-P-C4' energy: -102.906
flat angles P-C4'-P energy: -71.908
tors. eta vs tors. theta energy: -156.274
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: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1555.655134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.655134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.655134 (E_RNA)
where:
Base-Base interactions energy: -1077.169
where: short stacking energy: -458.617
Base-Backbone interact. energy: -2.930
local terms energy: -475.555450
where:
bonds (distance) C4'-P energy: -76.941
bonds (distance) P-C4' energy: -90.210
flat angles C4'-P-C4' energy: -102.801
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -132.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1543.752883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.752883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.752883 (E_RNA)
where:
Base-Base interactions energy: -1093.692
where: short stacking energy: -439.622
Base-Backbone interact. energy: -2.775
local terms energy: -447.285642
where:
bonds (distance) C4'-P energy: -76.764
bonds (distance) P-C4' energy: -91.269
flat angles C4'-P-C4' energy: -95.655
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -118.100
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: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1450.256667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.256667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.256667 (E_RNA)
where:
Base-Base interactions energy: -989.825
where: short stacking energy: -447.089
Base-Backbone interact. energy: 0.203
local terms energy: -460.634392
where:
bonds (distance) C4'-P energy: -72.956
bonds (distance) P-C4' energy: -99.631
flat angles C4'-P-C4' energy: -101.857
flat angles P-C4'-P energy: -62.820
tors. eta vs tors. theta energy: -123.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1375.789010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.789010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.789010 (E_RNA)
where:
Base-Base interactions energy: -920.968
where: short stacking energy: -422.561
Base-Backbone interact. energy: -2.618
local terms energy: -452.202761
where:
bonds (distance) C4'-P energy: -80.037
bonds (distance) P-C4' energy: -84.976
flat angles C4'-P-C4' energy: -88.976
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -123.258
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: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1156.481969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.481969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.481969 (E_RNA)
where:
Base-Base interactions energy: -777.283
where: short stacking energy: -361.591
Base-Backbone interact. energy: 3.994
local terms energy: -383.192537
where:
bonds (distance) C4'-P energy: -77.129
bonds (distance) P-C4' energy: -80.036
flat angles C4'-P-C4' energy: -77.876
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -86.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -987.332148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.332148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.332148 (E_RNA)
where:
Base-Base interactions energy: -650.066
where: short stacking energy: -277.820
Base-Backbone interact. energy: 3.616
local terms energy: -340.882149
where:
bonds (distance) C4'-P energy: -55.195
bonds (distance) P-C4' energy: -89.376
flat angles C4'-P-C4' energy: -73.795
flat angles P-C4'-P energy: -56.591
tors. eta vs tors. theta energy: -65.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -846.748386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.748386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.748386 (E_RNA)
where:
Base-Base interactions energy: -541.805
where: short stacking energy: -243.303
Base-Backbone interact. energy: -2.767
local terms energy: -302.177284
where:
bonds (distance) C4'-P energy: -63.168
bonds (distance) P-C4' energy: -62.207
flat angles C4'-P-C4' energy: -75.929
flat angles P-C4'-P energy: -55.897
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -778.693787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.693787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.693787 (E_RNA)
where:
Base-Base interactions energy: -464.657
where: short stacking energy: -220.232
Base-Backbone interact. energy: 2.232
local terms energy: -316.269035
where:
bonds (distance) C4'-P energy: -72.312
bonds (distance) P-C4' energy: -83.761
flat angles C4'-P-C4' energy: -74.864
flat angles P-C4'-P energy: -55.877
tors. eta vs tors. theta energy: -29.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -503.326993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.326993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.326993 (E_RNA)
where:
Base-Base interactions energy: -240.328
where: short stacking energy: -163.327
Base-Backbone interact. energy: 1.276
local terms energy: -264.275142
where:
bonds (distance) C4'-P energy: -80.780
bonds (distance) P-C4' energy: -68.150
flat angles C4'-P-C4' energy: -71.432
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: 0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1646.279653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.279653 (E_RNA)
where:
Base-Base interactions energy: -1123.593
where: short stacking energy: -518.937
Base-Backbone interact. energy: -0.232
local terms energy: -522.455576
where:
bonds (distance) C4'-P energy: -88.765
bonds (distance) P-C4' energy: -99.443
flat angles C4'-P-C4' energy: -106.037
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -156.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1578.076307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.076307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.076307 (E_RNA)
where:
Base-Base interactions energy: -1099.989
where: short stacking energy: -471.304
Base-Backbone interact. energy: -0.856
local terms energy: -477.231209
where:
bonds (distance) C4'-P energy: -91.902
bonds (distance) P-C4' energy: -97.039
flat angles C4'-P-C4' energy: -99.629
flat angles P-C4'-P energy: -66.875
tors. eta vs tors. theta energy: -121.786
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: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1536.326335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.326335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.326335 (E_RNA)
where:
Base-Base interactions energy: -1081.154
where: short stacking energy: -489.927
Base-Backbone interact. energy: 2.226
local terms energy: -457.397991
where:
bonds (distance) C4'-P energy: -78.153
bonds (distance) P-C4' energy: -81.328
flat angles C4'-P-C4' energy: -97.092
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -139.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1441.946220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.946220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.946220 (E_RNA)
where:
Base-Base interactions energy: -1010.222
where: short stacking energy: -440.341
Base-Backbone interact. energy: -3.835
local terms energy: -427.889282
where:
bonds (distance) C4'-P energy: -83.774
bonds (distance) P-C4' energy: -63.145
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -128.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1415.929828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.929828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.929828 (E_RNA)
where:
Base-Base interactions energy: -972.302
where: short stacking energy: -433.043
Base-Backbone interact. energy: -2.400
local terms energy: -441.228234
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -103.813
flat angles P-C4'-P energy: -53.986
tors. eta vs tors. theta energy: -119.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1128.988703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.988703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.988703 (E_RNA)
where:
Base-Base interactions energy: -721.759
where: short stacking energy: -330.121
Base-Backbone interact. energy: -0.901
local terms energy: -406.329013
where:
bonds (distance) C4'-P energy: -73.369
bonds (distance) P-C4' energy: -101.193
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -87.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1028.378590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.378590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.378590 (E_RNA)
where:
Base-Base interactions energy: -687.102
where: short stacking energy: -340.603
Base-Backbone interact. energy: -2.035
local terms energy: -339.241914
where:
bonds (distance) C4'-P energy: -77.009
bonds (distance) P-C4' energy: -80.930
flat angles C4'-P-C4' energy: -72.535
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -71.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -853.149722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.149722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.149722 (E_RNA)
where:
Base-Base interactions energy: -521.225
where: short stacking energy: -254.329
Base-Backbone interact. energy: -1.463
local terms energy: -330.462041
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -72.996
flat angles C4'-P-C4' energy: -87.890
flat angles P-C4'-P energy: -55.069
tors. eta vs tors. theta energy: -38.181
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: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -765.100086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.100086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.100086 (E_RNA)
where:
Base-Base interactions energy: -469.289
where: short stacking energy: -219.098
Base-Backbone interact. energy: -0.632
local terms energy: -295.178698
where:
bonds (distance) C4'-P energy: -57.458
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -77.682
flat angles P-C4'-P energy: -46.088
tors. eta vs tors. theta energy: -38.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -478.744677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.744677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.744677 (E_RNA)
where:
Base-Base interactions energy: -251.670
where: short stacking energy: -139.043
Base-Backbone interact. energy: -1.449
local terms energy: -225.625163
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -69.691
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: 0.594
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: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1640.935983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.935983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.935983 (E_RNA)
where:
Base-Base interactions energy: -1141.686
where: short stacking energy: -510.222
Base-Backbone interact. energy: -1.427
local terms energy: -497.822760
where:
bonds (distance) C4'-P energy: -75.760
bonds (distance) P-C4' energy: -87.252
flat angles C4'-P-C4' energy: -112.895
flat angles P-C4'-P energy: -69.954
tors. eta vs tors. theta energy: -151.961
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: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1564.379804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.379804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.379804 (E_RNA)
where:
Base-Base interactions energy: -1088.280
where: short stacking energy: -468.815
Base-Backbone interact. energy: -0.821
local terms energy: -475.278953
where:
bonds (distance) C4'-P energy: -97.154
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -98.553
flat angles P-C4'-P energy: -59.651
tors. eta vs tors. theta energy: -122.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1526.280633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.280633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.280633 (E_RNA)
where:
Base-Base interactions energy: -1051.248
where: short stacking energy: -477.503
Base-Backbone interact. energy: -3.492
local terms energy: -471.541303
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -93.335
flat angles C4'-P-C4' energy: -85.880
flat angles P-C4'-P energy: -74.472
tors. eta vs tors. theta energy: -136.885
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: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1450.223352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.223352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.223352 (E_RNA)
where:
Base-Base interactions energy: -1014.213
where: short stacking energy: -449.826
Base-Backbone interact. energy: 1.685
local terms energy: -437.695565
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -83.745
flat angles C4'-P-C4' energy: -93.216
flat angles P-C4'-P energy: -60.429
tors. eta vs tors. theta energy: -118.459
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: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1412.933246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.933246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.933246 (E_RNA)
where:
Base-Base interactions energy: -950.651
where: short stacking energy: -430.228
Base-Backbone interact. energy: -0.300
local terms energy: -461.981597
where:
bonds (distance) C4'-P energy: -84.865
bonds (distance) P-C4' energy: -87.588
flat angles C4'-P-C4' energy: -99.585
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -128.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1178.612235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.612235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.612235 (E_RNA)
where:
Base-Base interactions energy: -793.420
where: short stacking energy: -347.295
Base-Backbone interact. energy: -3.141
local terms energy: -382.051177
where:
bonds (distance) C4'-P energy: -82.775
bonds (distance) P-C4' energy: -82.373
flat angles C4'-P-C4' energy: -84.732
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -88.652
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: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1000.046137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.046137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.046137 (E_RNA)
where:
Base-Base interactions energy: -674.009
where: short stacking energy: -297.878
Base-Backbone interact. energy: -1.870
local terms energy: -324.167237
where:
bonds (distance) C4'-P energy: -75.826
bonds (distance) P-C4' energy: -64.699
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -49.456
tors. eta vs tors. theta energy: -53.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -835.602705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.602705 (E_RNA)
where:
Base-Base interactions energy: -509.063
where: short stacking energy: -226.516
Base-Backbone interact. energy: -2.349
local terms energy: -324.190852
where:
bonds (distance) C4'-P energy: -79.500
bonds (distance) P-C4' energy: -72.479
flat angles C4'-P-C4' energy: -71.142
flat angles P-C4'-P energy: -59.817
tors. eta vs tors. theta energy: -41.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -786.135816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.135816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.135816 (E_RNA)
where:
Base-Base interactions energy: -482.377
where: short stacking energy: -221.395
Base-Backbone interact. energy: -0.752
local terms energy: -303.007244
where:
bonds (distance) C4'-P energy: -79.371
bonds (distance) P-C4' energy: -81.242
flat angles C4'-P-C4' energy: -68.044
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -474.991070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.991070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.991070 (E_RNA)
where:
Base-Base interactions energy: -239.528
where: short stacking energy: -158.929
Base-Backbone interact. energy: 4.644
local terms energy: -240.107425
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1645.561925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.561925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.561925 (E_RNA)
where:
Base-Base interactions energy: -1133.671
where: short stacking energy: -524.972
Base-Backbone interact. energy: -2.581
local terms energy: -509.309067
where:
bonds (distance) C4'-P energy: -86.104
bonds (distance) P-C4' energy: -90.331
flat angles C4'-P-C4' energy: -109.228
flat angles P-C4'-P energy: -70.390
tors. eta vs tors. theta energy: -153.256
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: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1577.864712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.864712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.864712 (E_RNA)
where:
Base-Base interactions energy: -1082.578
where: short stacking energy: -458.025
Base-Backbone interact. energy: -4.241
local terms energy: -491.045093
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -106.244
flat angles P-C4'-P energy: -74.055
tors. eta vs tors. theta energy: -132.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1537.597964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.597964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.597964 (E_RNA)
where:
Base-Base interactions energy: -1094.091
where: short stacking energy: -455.558
Base-Backbone interact. energy: 4.673
local terms energy: -448.179572
where:
bonds (distance) C4'-P energy: -78.490
bonds (distance) P-C4' energy: -79.627
flat angles C4'-P-C4' energy: -103.822
flat angles P-C4'-P energy: -67.977
tors. eta vs tors. theta energy: -118.263
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: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1466.434958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.434958 (E_RNA)
where:
Base-Base interactions energy: -1028.754
where: short stacking energy: -475.635
Base-Backbone interact. energy: -0.750
local terms energy: -436.931082
where:
bonds (distance) C4'-P energy: -77.690
bonds (distance) P-C4' energy: -77.391
flat angles C4'-P-C4' energy: -86.014
flat angles P-C4'-P energy: -51.546
tors. eta vs tors. theta energy: -144.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1385.437036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.437036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.437036 (E_RNA)
where:
Base-Base interactions energy: -942.050
where: short stacking energy: -428.840
Base-Backbone interact. energy: -0.893
local terms energy: -442.493350
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -99.920
flat angles C4'-P-C4' energy: -102.249
flat angles P-C4'-P energy: -51.024
tors. eta vs tors. theta energy: -121.464
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: 175
Temperature: 1.150000
Total energy: -1165.033970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.033970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.033970 (E_RNA)
where:
Base-Base interactions energy: -769.441
where: short stacking energy: -369.873
Base-Backbone interact. energy: 0.245
local terms energy: -395.838494
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -75.453
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -100.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1059.058209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.058209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.058209 (E_RNA)
where:
Base-Base interactions energy: -699.042
where: short stacking energy: -327.427
Base-Backbone interact. energy: -2.985
local terms energy: -357.031103
where:
bonds (distance) C4'-P energy: -72.031
bonds (distance) P-C4' energy: -54.366
flat angles C4'-P-C4' energy: -91.886
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -70.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -856.034182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.034182 (E_RNA)
where:
Base-Base interactions energy: -534.041
where: short stacking energy: -256.247
Base-Backbone interact. energy: -2.169
local terms energy: -319.824016
where:
bonds (distance) C4'-P energy: -76.819
bonds (distance) P-C4' energy: -81.357
flat angles C4'-P-C4' energy: -76.564
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -44.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -745.416226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.416226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.416226 (E_RNA)
where:
Base-Base interactions energy: -430.040
where: short stacking energy: -201.493
Base-Backbone interact. energy: -1.370
local terms energy: -314.005800
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -90.407
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -37.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -493.102349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.102349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.102349 (E_RNA)
where:
Base-Base interactions energy: -251.258
where: short stacking energy: -141.524
Base-Backbone interact. energy: -2.079
local terms energy: -239.765881
where:
bonds (distance) C4'-P energy: -71.639
bonds (distance) P-C4' energy: -59.937
flat angles C4'-P-C4' energy: -56.056
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1652.206225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.206225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.206225 (E_RNA)
where:
Base-Base interactions energy: -1139.154
where: short stacking energy: -524.972
Base-Backbone interact. energy: -1.777
local terms energy: -511.275239
where:
bonds (distance) C4'-P energy: -84.932
bonds (distance) P-C4' energy: -97.720
flat angles C4'-P-C4' energy: -105.325
flat angles P-C4'-P energy: -63.748
tors. eta vs tors. theta energy: -159.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1578.850216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.850216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.850216 (E_RNA)
where:
Base-Base interactions energy: -1094.710
where: short stacking energy: -478.321
Base-Backbone interact. energy: -4.827
local terms energy: -479.313228
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -87.014
flat angles C4'-P-C4' energy: -96.253
flat angles P-C4'-P energy: -72.860
tors. eta vs tors. theta energy: -130.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1510.357569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.357569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.357569 (E_RNA)
where:
Base-Base interactions energy: -1093.411
where: short stacking energy: -457.921
Base-Backbone interact. energy: 0.572
local terms energy: -417.518691
where:
bonds (distance) C4'-P energy: -91.333
bonds (distance) P-C4' energy: -78.557
flat angles C4'-P-C4' energy: -85.479
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: -114.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1449.468656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.468656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.468656 (E_RNA)
where:
Base-Base interactions energy: -978.215
where: short stacking energy: -437.424
Base-Backbone interact. energy: -1.472
local terms energy: -469.782268
where:
bonds (distance) C4'-P energy: -94.248
bonds (distance) P-C4' energy: -83.948
flat angles C4'-P-C4' energy: -103.008
flat angles P-C4'-P energy: -64.940
tors. eta vs tors. theta energy: -123.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1394.147972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.147972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.147972 (E_RNA)
where:
Base-Base interactions energy: -953.387
where: short stacking energy: -429.850
Base-Backbone interact. energy: -1.153
local terms energy: -439.608016
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -83.392
flat angles C4'-P-C4' energy: -102.444
flat angles P-C4'-P energy: -62.104
tors. eta vs tors. theta energy: -119.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1160.012728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.012728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.012728 (E_RNA)
where:
Base-Base interactions energy: -784.590
where: short stacking energy: -360.300
Base-Backbone interact. energy: -3.094
local terms energy: -372.328393
where:
bonds (distance) C4'-P energy: -76.288
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -85.814
flat angles P-C4'-P energy: -54.924
tors. eta vs tors. theta energy: -94.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1084.198126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.198126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.198126 (E_RNA)
where:
Base-Base interactions energy: -755.959
where: short stacking energy: -327.288
Base-Backbone interact. energy: -2.024
local terms energy: -326.214873
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -79.524
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -53.770
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: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -861.541207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.541207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.541207 (E_RNA)
where:
Base-Base interactions energy: -531.669
where: short stacking energy: -244.559
Base-Backbone interact. energy: -0.962
local terms energy: -328.910269
where:
bonds (distance) C4'-P energy: -71.914
bonds (distance) P-C4' energy: -87.650
flat angles C4'-P-C4' energy: -85.211
flat angles P-C4'-P energy: -48.772
tors. eta vs tors. theta energy: -35.363
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: 176
Temperature: 1.300000
Total energy: -776.312044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.312044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.312044 (E_RNA)
where:
Base-Base interactions energy: -490.195
where: short stacking energy: -230.020
Base-Backbone interact. energy: -2.150
local terms energy: -283.967361
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -78.474
flat angles C4'-P-C4' energy: -71.937
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -36.807
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -551.393595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.393595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.393595 (E_RNA)
where:
Base-Base interactions energy: -284.819
where: short stacking energy: -163.457
Base-Backbone interact. energy: -1.260
local terms energy: -265.315282
where:
bonds (distance) C4'-P energy: -67.758
bonds (distance) P-C4' energy: -86.941
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: -7.224
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1643.396586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.396586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.396586 (E_RNA)
where:
Base-Base interactions energy: -1131.433
where: short stacking energy: -502.649
Base-Backbone interact. energy: -2.451
local terms energy: -509.512198
where:
bonds (distance) C4'-P energy: -104.139
bonds (distance) P-C4' energy: -89.431
flat angles C4'-P-C4' energy: -99.977
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -146.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1561.211244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.211244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.211244 (E_RNA)
where:
Base-Base interactions energy: -1102.510
where: short stacking energy: -444.485
Base-Backbone interact. energy: 1.962
local terms energy: -460.663593
where:
bonds (distance) C4'-P energy: -85.547
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -104.568
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -117.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1555.048158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.048158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.048158 (E_RNA)
where:
Base-Base interactions energy: -1084.080
where: short stacking energy: -466.486
Base-Backbone interact. energy: -2.185
local terms energy: -468.783046
where:
bonds (distance) C4'-P energy: -92.570
bonds (distance) P-C4' energy: -87.773
flat angles C4'-P-C4' energy: -100.240
flat angles P-C4'-P energy: -56.797
tors. eta vs tors. theta energy: -131.403
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: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1409.876535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.876535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.876535 (E_RNA)
where:
Base-Base interactions energy: -964.841
where: short stacking energy: -446.650
Base-Backbone interact. energy: -1.555
local terms energy: -443.481411
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -82.209
flat angles C4'-P-C4' energy: -93.395
flat angles P-C4'-P energy: -57.481
tors. eta vs tors. theta energy: -125.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1393.574680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.574680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.574680 (E_RNA)
where:
Base-Base interactions energy: -963.431
where: short stacking energy: -411.223
Base-Backbone interact. energy: -1.910
local terms energy: -428.233706
where:
bonds (distance) C4'-P energy: -75.659
bonds (distance) P-C4' energy: -87.277
flat angles C4'-P-C4' energy: -87.220
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: -123.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1194.078089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.078089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.078089 (E_RNA)
where:
Base-Base interactions energy: -793.633
where: short stacking energy: -353.499
Base-Backbone interact. energy: -2.196
local terms energy: -398.249489
where:
bonds (distance) C4'-P energy: -74.870
bonds (distance) P-C4' energy: -72.857
flat angles C4'-P-C4' energy: -94.376
flat angles P-C4'-P energy: -57.677
tors. eta vs tors. theta energy: -98.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1050.683310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.683310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.683310 (E_RNA)
where:
Base-Base interactions energy: -697.045
where: short stacking energy: -315.620
Base-Backbone interact. energy: -2.520
local terms energy: -351.117709
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -87.117
flat angles C4'-P-C4' energy: -75.175
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -78.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -880.688089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.688089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.688089 (E_RNA)
where:
Base-Base interactions energy: -550.147
where: short stacking energy: -283.905
Base-Backbone interact. energy: -2.549
local terms energy: -327.992409
where:
bonds (distance) C4'-P energy: -67.163
bonds (distance) P-C4' energy: -82.672
flat angles C4'-P-C4' energy: -75.343
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -53.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -708.066203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.066203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.066203 (E_RNA)
where:
Base-Base interactions energy: -431.055
where: short stacking energy: -205.068
Base-Backbone interact. energy: -0.407
local terms energy: -276.604148
where:
bonds (distance) C4'-P energy: -85.470
bonds (distance) P-C4' energy: -62.947
flat angles C4'-P-C4' energy: -66.163
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -16.577
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: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -574.585093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.585093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.585093 (E_RNA)
where:
Base-Base interactions energy: -314.078
where: short stacking energy: -182.928
Base-Backbone interact. energy: 1.264
local terms energy: -261.770895
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -81.072
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1668.045033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.045033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.045033 (E_RNA)
where:
Base-Base interactions energy: -1154.960
where: short stacking energy: -526.542
Base-Backbone interact. energy: -3.688
local terms energy: -509.397560
where:
bonds (distance) C4'-P energy: -97.993
bonds (distance) P-C4' energy: -84.370
flat angles C4'-P-C4' energy: -107.050
flat angles P-C4'-P energy: -78.159
tors. eta vs tors. theta energy: -141.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1598.900068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.900068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.900068 (E_RNA)
where:
Base-Base interactions energy: -1127.504
where: short stacking energy: -472.022
Base-Backbone interact. energy: -2.627
local terms energy: -468.768546
where:
bonds (distance) C4'-P energy: -75.604
bonds (distance) P-C4' energy: -92.604
flat angles C4'-P-C4' energy: -101.475
flat angles P-C4'-P energy: -70.158
tors. eta vs tors. theta energy: -128.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1523.395799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.395799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.395799 (E_RNA)
where:
Base-Base interactions energy: -1040.378
where: short stacking energy: -449.120
Base-Backbone interact. energy: -2.389
local terms energy: -480.629049
where:
bonds (distance) C4'-P energy: -99.270
bonds (distance) P-C4' energy: -76.146
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -70.086
tors. eta vs tors. theta energy: -127.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1416.505697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.505697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.505697 (E_RNA)
where:
Base-Base interactions energy: -969.397
where: short stacking energy: -432.584
Base-Backbone interact. energy: -0.917
local terms energy: -446.192069
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -83.236
flat angles C4'-P-C4' energy: -98.896
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -118.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1357.520437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.520437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.520437 (E_RNA)
where:
Base-Base interactions energy: -940.545
where: short stacking energy: -398.478
Base-Backbone interact. energy: -1.540
local terms energy: -415.435705
where:
bonds (distance) C4'-P energy: -76.367
bonds (distance) P-C4' energy: -72.891
flat angles C4'-P-C4' energy: -97.574
flat angles P-C4'-P energy: -61.893
tors. eta vs tors. theta energy: -106.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1148.662923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.662923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.662923 (E_RNA)
where:
Base-Base interactions energy: -771.455
where: short stacking energy: -355.229
Base-Backbone interact. energy: 3.053
local terms energy: -380.261088
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -85.845
flat angles P-C4'-P energy: -57.778
tors. eta vs tors. theta energy: -94.426
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: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1064.374033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.374033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.374033 (E_RNA)
where:
Base-Base interactions energy: -723.082
where: short stacking energy: -330.933
Base-Backbone interact. energy: -0.160
local terms energy: -341.132547
where:
bonds (distance) C4'-P energy: -61.502
bonds (distance) P-C4' energy: -83.977
flat angles C4'-P-C4' energy: -84.059
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -73.290
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -892.821078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.821078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.821078 (E_RNA)
where:
Base-Base interactions energy: -584.603
where: short stacking energy: -269.418
Base-Backbone interact. energy: -0.352
local terms energy: -307.866504
where:
bonds (distance) C4'-P energy: -65.360
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -80.761
flat angles P-C4'-P energy: -37.285
tors. eta vs tors. theta energy: -42.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -728.197370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.197370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.197370 (E_RNA)
where:
Base-Base interactions energy: -421.696
where: short stacking energy: -221.299
Base-Backbone interact. energy: 0.974
local terms energy: -307.475888
where:
bonds (distance) C4'-P energy: -73.139
bonds (distance) P-C4' energy: -77.934
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -45.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -525.583474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.583474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.583474 (E_RNA)
where:
Base-Base interactions energy: -243.560
where: short stacking energy: -133.910
Base-Backbone interact. energy: -1.634
local terms energy: -280.388941
where:
bonds (distance) C4'-P energy: -72.092
bonds (distance) P-C4' energy: -81.442
flat angles C4'-P-C4' energy: -67.650
flat angles P-C4'-P energy: -58.991
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1658.195477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.195477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.195477 (E_RNA)
where:
Base-Base interactions energy: -1131.190
where: short stacking energy: -512.920
Base-Backbone interact. energy: -0.750
local terms energy: -526.255061
where:
bonds (distance) C4'-P energy: -89.022
bonds (distance) P-C4' energy: -102.339
flat angles C4'-P-C4' energy: -114.318
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -154.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1582.578163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.578163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.578163 (E_RNA)
where:
Base-Base interactions energy: -1123.273
where: short stacking energy: -463.095
Base-Backbone interact. energy: -1.324
local terms energy: -457.981375
where:
bonds (distance) C4'-P energy: -91.823
bonds (distance) P-C4' energy: -88.232
flat angles C4'-P-C4' energy: -89.512
flat angles P-C4'-P energy: -64.388
tors. eta vs tors. theta energy: -124.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1508.878112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.878112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.878112 (E_RNA)
where:
Base-Base interactions energy: -1057.564
where: short stacking energy: -461.033
Base-Backbone interact. energy: -1.107
local terms energy: -450.206648
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -84.824
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -64.159
tors. eta vs tors. theta energy: -126.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1439.138854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.138854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.138854 (E_RNA)
where:
Base-Base interactions energy: -1003.625
where: short stacking energy: -434.871
Base-Backbone interact. energy: -0.245
local terms energy: -435.268750
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -96.176
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -126.310
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: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1392.574887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.574887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.574887 (E_RNA)
where:
Base-Base interactions energy: -964.493
where: short stacking energy: -434.446
Base-Backbone interact. energy: 0.941
local terms energy: -429.022791
where:
bonds (distance) C4'-P energy: -77.759
bonds (distance) P-C4' energy: -67.630
flat angles C4'-P-C4' energy: -99.320
flat angles P-C4'-P energy: -68.372
tors. eta vs tors. theta energy: -115.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1150.590011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.590011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.590011 (E_RNA)
where:
Base-Base interactions energy: -765.593
where: short stacking energy: -355.591
Base-Backbone interact. energy: -2.425
local terms energy: -382.572400
where:
bonds (distance) C4'-P energy: -65.009
bonds (distance) P-C4' energy: -80.167
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -91.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1102.870627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.870627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.870627 (E_RNA)
where:
Base-Base interactions energy: -749.451
where: short stacking energy: -334.100
Base-Backbone interact. energy: 2.314
local terms energy: -355.733715
where:
bonds (distance) C4'-P energy: -86.958
bonds (distance) P-C4' energy: -72.163
flat angles C4'-P-C4' energy: -82.226
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -70.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -902.655409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.655409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.655409 (E_RNA)
where:
Base-Base interactions energy: -581.007
where: short stacking energy: -295.390
Base-Backbone interact. energy: 4.521
local terms energy: -326.170173
where:
bonds (distance) C4'-P energy: -78.337
bonds (distance) P-C4' energy: -66.340
flat angles C4'-P-C4' energy: -72.238
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: -55.296
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: 179
Temperature: 1.300000
Total energy: -727.342689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.342689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.342689 (E_RNA)
where:
Base-Base interactions energy: -429.152
where: short stacking energy: -209.987
Base-Backbone interact. energy: -0.366
local terms energy: -297.824710
where:
bonds (distance) C4'-P energy: -66.672
bonds (distance) P-C4' energy: -73.807
flat angles C4'-P-C4' energy: -72.124
flat angles P-C4'-P energy: -41.771
tors. eta vs tors. theta energy: -43.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -603.975125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.975125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.975125 (E_RNA)
where:
Base-Base interactions energy: -323.292
where: short stacking energy: -179.990
Base-Backbone interact. energy: -0.873
local terms energy: -279.810759
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -81.127
flat angles C4'-P-C4' energy: -66.142
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1658.186451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.186451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.186451 (E_RNA)
where:
Base-Base interactions energy: -1153.370
where: short stacking energy: -493.475
Base-Backbone interact. energy: -3.385
local terms energy: -501.431572
where:
bonds (distance) C4'-P energy: -87.462
bonds (distance) P-C4' energy: -85.483
flat angles C4'-P-C4' energy: -100.525
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -143.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1586.614635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.614635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.614635 (E_RNA)
where:
Base-Base interactions energy: -1106.087
where: short stacking energy: -449.157
Base-Backbone interact. energy: -3.137
local terms energy: -477.390816
where:
bonds (distance) C4'-P energy: -90.615
bonds (distance) P-C4' energy: -90.724
flat angles C4'-P-C4' energy: -102.364
flat angles P-C4'-P energy: -75.759
tors. eta vs tors. theta energy: -117.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1485.380445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.380445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.380445 (E_RNA)
where:
Base-Base interactions energy: -998.861
where: short stacking energy: -435.611
Base-Backbone interact. energy: -1.162
local terms energy: -485.357631
where:
bonds (distance) C4'-P energy: -95.254
bonds (distance) P-C4' energy: -90.360
flat angles C4'-P-C4' energy: -105.838
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -126.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1478.463338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.463338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.463338 (E_RNA)
where:
Base-Base interactions energy: -990.915
where: short stacking energy: -454.763
Base-Backbone interact. energy: -2.003
local terms energy: -485.545550
where:
bonds (distance) C4'-P energy: -80.379
bonds (distance) P-C4' energy: -85.179
flat angles C4'-P-C4' energy: -106.698
flat angles P-C4'-P energy: -76.768
tors. eta vs tors. theta energy: -136.522
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1365.905534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.905534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.905534 (E_RNA)
where:
Base-Base interactions energy: -935.666
where: short stacking energy: -413.898
Base-Backbone interact. energy: -2.303
local terms energy: -427.936456
where:
bonds (distance) C4'-P energy: -86.934
bonds (distance) P-C4' energy: -87.724
flat angles C4'-P-C4' energy: -81.794
flat angles P-C4'-P energy: -61.011
tors. eta vs tors. theta energy: -110.474
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: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1174.865986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.865986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.865986 (E_RNA)
where:
Base-Base interactions energy: -772.417
where: short stacking energy: -343.585
Base-Backbone interact. energy: -0.737
local terms energy: -401.711843
where:
bonds (distance) C4'-P energy: -79.656
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -83.568
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -93.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1026.453903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.453903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.453903 (E_RNA)
where:
Base-Base interactions energy: -666.450
where: short stacking energy: -282.914
Base-Backbone interact. energy: -4.229
local terms energy: -355.775434
where:
bonds (distance) C4'-P energy: -67.016
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -83.157
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -60.217
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: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -918.913586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.913586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.913586 (E_RNA)
where:
Base-Base interactions energy: -572.900
where: short stacking energy: -280.729
Base-Backbone interact. energy: -0.593
local terms energy: -345.420549
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -82.061
flat angles C4'-P-C4' energy: -81.224
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: -47.328
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: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -749.934086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.934086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.934086 (E_RNA)
where:
Base-Base interactions energy: -459.788
where: short stacking energy: -225.835
Base-Backbone interact. energy: 0.411
local terms energy: -290.556987
where:
bonds (distance) C4'-P energy: -64.922
bonds (distance) P-C4' energy: -71.435
flat angles C4'-P-C4' energy: -79.353
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -538.506878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.506878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.506878 (E_RNA)
where:
Base-Base interactions energy: -280.136
where: short stacking energy: -140.841
Base-Backbone interact. energy: 4.221
local terms energy: -262.592635
where:
bonds (distance) C4'-P energy: -75.715
bonds (distance) P-C4' energy: -82.440
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1686.454631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.454631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.454631 (E_RNA)
where:
Base-Base interactions energy: -1149.670
where: short stacking energy: -501.808
Base-Backbone interact. energy: -1.200
local terms energy: -535.584936
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -106.247
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -148.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1575.884672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.884672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.884672 (E_RNA)
where:
Base-Base interactions energy: -1119.983
where: short stacking energy: -463.889
Base-Backbone interact. energy: -0.493
local terms energy: -455.408016
where:
bonds (distance) C4'-P energy: -78.709
bonds (distance) P-C4' energy: -75.008
flat angles C4'-P-C4' energy: -112.638
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -118.978
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: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1505.551238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.551238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.551238 (E_RNA)
where:
Base-Base interactions energy: -1039.741
where: short stacking energy: -443.747
Base-Backbone interact. energy: -1.944
local terms energy: -463.866229
where:
bonds (distance) C4'-P energy: -88.186
bonds (distance) P-C4' energy: -90.774
flat angles C4'-P-C4' energy: -87.885
flat angles P-C4'-P energy: -63.586
tors. eta vs tors. theta energy: -133.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1479.084657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.084657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.084657 (E_RNA)
where:
Base-Base interactions energy: -1030.559
where: short stacking energy: -461.573
Base-Backbone interact. energy: -2.382
local terms energy: -446.143494
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -94.428
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -144.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1371.226979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.226979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.226979 (E_RNA)
where:
Base-Base interactions energy: -950.434
where: short stacking energy: -397.856
Base-Backbone interact. energy: -1.544
local terms energy: -419.249051
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -81.626
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -57.969
tors. eta vs tors. theta energy: -109.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1130.033937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.033937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.033937 (E_RNA)
where:
Base-Base interactions energy: -733.074
where: short stacking energy: -340.886
Base-Backbone interact. energy: 0.307
local terms energy: -397.266576
where:
bonds (distance) C4'-P energy: -82.168
bonds (distance) P-C4' energy: -82.707
flat angles C4'-P-C4' energy: -90.686
flat angles P-C4'-P energy: -60.931
tors. eta vs tors. theta energy: -80.775
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: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1056.746012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.746012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.746012 (E_RNA)
where:
Base-Base interactions energy: -701.912
where: short stacking energy: -308.824
Base-Backbone interact. energy: -4.117
local terms energy: -350.717698
where:
bonds (distance) C4'-P energy: -70.666
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -69.774
flat angles P-C4'-P energy: -65.099
tors. eta vs tors. theta energy: -64.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -923.947187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.947187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.947187 (E_RNA)
where:
Base-Base interactions energy: -568.942
where: short stacking energy: -279.816
Base-Backbone interact. energy: 1.195
local terms energy: -356.200729
where:
bonds (distance) C4'-P energy: -69.780
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -74.841
flat angles P-C4'-P energy: -57.590
tors. eta vs tors. theta energy: -61.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -798.325861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.325861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.325861 (E_RNA)
where:
Base-Base interactions energy: -490.672
where: short stacking energy: -241.113
Base-Backbone interact. energy: 1.449
local terms energy: -309.102173
where:
bonds (distance) C4'-P energy: -87.832
bonds (distance) P-C4' energy: -78.603
flat angles C4'-P-C4' energy: -64.151
flat angles P-C4'-P energy: -42.757
tors. eta vs tors. theta energy: -35.759
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -542.129846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.129846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.129846 (E_RNA)
where:
Base-Base interactions energy: -278.369
where: short stacking energy: -170.572
Base-Backbone interact. energy: -1.794
local terms energy: -261.966779
where:
bonds (distance) C4'-P energy: -70.176
bonds (distance) P-C4' energy: -74.299
flat angles C4'-P-C4' energy: -69.747
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1656.892013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.892013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.892013 (E_RNA)
where:
Base-Base interactions energy: -1141.808
where: short stacking energy: -509.094
Base-Backbone interact. energy: -3.163
local terms energy: -511.921163
where:
bonds (distance) C4'-P energy: -85.356
bonds (distance) P-C4' energy: -94.958
flat angles C4'-P-C4' energy: -107.125
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -144.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1579.579691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.579691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.579691 (E_RNA)
where:
Base-Base interactions energy: -1124.680
where: short stacking energy: -466.043
Base-Backbone interact. energy: -3.582
local terms energy: -451.317535
where:
bonds (distance) C4'-P energy: -82.748
bonds (distance) P-C4' energy: -93.760
flat angles C4'-P-C4' energy: -90.068
flat angles P-C4'-P energy: -63.884
tors. eta vs tors. theta energy: -120.857
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: 182
Temperature: 1.000000
Total energy: -1524.496920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.496920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.496920 (E_RNA)
where:
Base-Base interactions energy: -1042.613
where: short stacking energy: -478.105
Base-Backbone interact. energy: 0.514
local terms energy: -482.397558
where:
bonds (distance) C4'-P energy: -86.958
bonds (distance) P-C4' energy: -88.735
flat angles C4'-P-C4' energy: -102.328
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -135.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1444.067678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.067678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.067678 (E_RNA)
where:
Base-Base interactions energy: -994.030
where: short stacking energy: -441.614
Base-Backbone interact. energy: -1.989
local terms energy: -448.048142
where:
bonds (distance) C4'-P energy: -78.122
bonds (distance) P-C4' energy: -87.641
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -133.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1379.861366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.861366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.861366 (E_RNA)
where:
Base-Base interactions energy: -956.598
where: short stacking energy: -427.378
Base-Backbone interact. energy: 7.064
local terms energy: -430.327428
where:
bonds (distance) C4'-P energy: -77.338
bonds (distance) P-C4' energy: -80.692
flat angles C4'-P-C4' energy: -100.247
flat angles P-C4'-P energy: -61.156
tors. eta vs tors. theta energy: -110.893
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: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1185.462809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.462809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.462809 (E_RNA)
where:
Base-Base interactions energy: -777.083
where: short stacking energy: -342.461
Base-Backbone interact. energy: -0.495
local terms energy: -407.885088
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -89.361
flat angles C4'-P-C4' energy: -92.260
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -91.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1050.696098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.696098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.696098 (E_RNA)
where:
Base-Base interactions energy: -689.736
where: short stacking energy: -296.703
Base-Backbone interact. energy: 0.747
local terms energy: -361.707533
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -95.475
flat angles C4'-P-C4' energy: -85.197
flat angles P-C4'-P energy: -57.306
tors. eta vs tors. theta energy: -58.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -859.899754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.899754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.899754 (E_RNA)
where:
Base-Base interactions energy: -521.915
where: short stacking energy: -245.173
Base-Backbone interact. energy: -2.976
local terms energy: -335.009733
where:
bonds (distance) C4'-P energy: -75.952
bonds (distance) P-C4' energy: -70.406
flat angles C4'-P-C4' energy: -85.107
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -58.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -825.218367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.218367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.218367 (E_RNA)
where:
Base-Base interactions energy: -505.588
where: short stacking energy: -242.392
Base-Backbone interact. energy: 3.693
local terms energy: -323.323381
where:
bonds (distance) C4'-P energy: -66.407
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -70.104
flat angles P-C4'-P energy: -58.773
tors. eta vs tors. theta energy: -55.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -513.438524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.438524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.438524 (E_RNA)
where:
Base-Base interactions energy: -256.680
where: short stacking energy: -130.956
Base-Backbone interact. energy: 3.225
local terms energy: -259.983276
where:
bonds (distance) C4'-P energy: -73.782
bonds (distance) P-C4' energy: -82.514
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: 10.124
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: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1671.678839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.678839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.678839 (E_RNA)
where:
Base-Base interactions energy: -1137.562
where: short stacking energy: -506.735
Base-Backbone interact. energy: -1.941
local terms energy: -532.175757
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -94.624
flat angles C4'-P-C4' energy: -113.410
flat angles P-C4'-P energy: -76.019
tors. eta vs tors. theta energy: -151.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1562.773317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.773317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.773317 (E_RNA)
where:
Base-Base interactions energy: -1101.386
where: short stacking energy: -462.185
Base-Backbone interact. energy: 0.594
local terms energy: -461.981487
where:
bonds (distance) C4'-P energy: -88.741
bonds (distance) P-C4' energy: -93.331
flat angles C4'-P-C4' energy: -98.247
flat angles P-C4'-P energy: -55.751
tors. eta vs tors. theta energy: -125.911
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: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1537.154129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.154129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.154129 (E_RNA)
where:
Base-Base interactions energy: -1036.343
where: short stacking energy: -473.675
Base-Backbone interact. energy: -3.428
local terms energy: -497.382954
where:
bonds (distance) C4'-P energy: -82.378
bonds (distance) P-C4' energy: -92.662
flat angles C4'-P-C4' energy: -110.186
flat angles P-C4'-P energy: -65.919
tors. eta vs tors. theta energy: -146.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1457.886577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.886577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.886577 (E_RNA)
where:
Base-Base interactions energy: -1000.786
where: short stacking energy: -452.915
Base-Backbone interact. energy: 0.450
local terms energy: -457.550728
where:
bonds (distance) C4'-P energy: -77.783
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -97.832
flat angles P-C4'-P energy: -60.263
tors. eta vs tors. theta energy: -123.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1345.003681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.003681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.003681 (E_RNA)
where:
Base-Base interactions energy: -938.415
where: short stacking energy: -411.046
Base-Backbone interact. energy: -1.048
local terms energy: -405.540248
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -96.259
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -93.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1207.553653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.553653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.553653 (E_RNA)
where:
Base-Base interactions energy: -806.734
where: short stacking energy: -388.280
Base-Backbone interact. energy: -1.670
local terms energy: -399.149614
where:
bonds (distance) C4'-P energy: -63.903
bonds (distance) P-C4' energy: -91.855
flat angles C4'-P-C4' energy: -88.908
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -95.805
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: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1054.846113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.846113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.846113 (E_RNA)
where:
Base-Base interactions energy: -711.893
where: short stacking energy: -311.851
Base-Backbone interact. energy: 3.310
local terms energy: -346.263120
where:
bonds (distance) C4'-P energy: -65.814
bonds (distance) P-C4' energy: -89.075
flat angles C4'-P-C4' energy: -82.423
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -65.589
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -901.506447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.506447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.506447 (E_RNA)
where:
Base-Base interactions energy: -564.231
where: short stacking energy: -259.889
Base-Backbone interact. energy: -4.796
local terms energy: -332.479311
where:
bonds (distance) C4'-P energy: -63.458
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -49.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -788.393007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.393007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.393007 (E_RNA)
where:
Base-Base interactions energy: -469.393
where: short stacking energy: -223.610
Base-Backbone interact. energy: -0.459
local terms energy: -318.540497
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -86.062
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -482.640984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.640984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.640984 (E_RNA)
where:
Base-Base interactions energy: -238.699
where: short stacking energy: -140.271
Base-Backbone interact. energy: 4.400
local terms energy: -248.342267
where:
bonds (distance) C4'-P energy: -88.094
bonds (distance) P-C4' energy: -65.700
flat angles C4'-P-C4' energy: -53.335
flat angles P-C4'-P energy: -55.708
tors. eta vs tors. theta energy: 14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1649.005091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.005091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.005091 (E_RNA)
where:
Base-Base interactions energy: -1145.398
where: short stacking energy: -510.653
Base-Backbone interact. energy: -1.918
local terms energy: -501.689305
where:
bonds (distance) C4'-P energy: -88.005
bonds (distance) P-C4' energy: -94.931
flat angles C4'-P-C4' energy: -108.011
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -146.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1591.294333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.294333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.294333 (E_RNA)
where:
Base-Base interactions energy: -1111.640
where: short stacking energy: -463.843
Base-Backbone interact. energy: -1.461
local terms energy: -478.193996
where:
bonds (distance) C4'-P energy: -83.152
bonds (distance) P-C4' energy: -97.973
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -66.467
tors. eta vs tors. theta energy: -126.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1528.445453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.445453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.445453 (E_RNA)
where:
Base-Base interactions energy: -1062.513
where: short stacking energy: -491.134
Base-Backbone interact. energy: -5.381
local terms energy: -460.551430
where:
bonds (distance) C4'-P energy: -74.775
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -98.021
flat angles P-C4'-P energy: -69.488
tors. eta vs tors. theta energy: -141.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1450.741260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.741260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.741260 (E_RNA)
where:
Base-Base interactions energy: -999.963
where: short stacking energy: -462.249
Base-Backbone interact. energy: 1.535
local terms energy: -452.312845
where:
bonds (distance) C4'-P energy: -90.164
bonds (distance) P-C4' energy: -77.077
flat angles C4'-P-C4' energy: -94.843
flat angles P-C4'-P energy: -62.439
tors. eta vs tors. theta energy: -127.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1373.114644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.114644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.114644 (E_RNA)
where:
Base-Base interactions energy: -936.145
where: short stacking energy: -400.515
Base-Backbone interact. energy: -5.342
local terms energy: -431.627158
where:
bonds (distance) C4'-P energy: -71.911
bonds (distance) P-C4' energy: -91.625
flat angles C4'-P-C4' energy: -100.566
flat angles P-C4'-P energy: -66.207
tors. eta vs tors. theta energy: -101.318
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: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1217.897577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.897577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.897577 (E_RNA)
where:
Base-Base interactions energy: -836.497
where: short stacking energy: -376.324
Base-Backbone interact. energy: -0.094
local terms energy: -381.307122
where:
bonds (distance) C4'-P energy: -71.098
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -80.801
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -103.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1052.382373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.382373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.382373 (E_RNA)
where:
Base-Base interactions energy: -713.520
where: short stacking energy: -283.257
Base-Backbone interact. energy: -2.794
local terms energy: -336.067981
where:
bonds (distance) C4'-P energy: -76.939
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -86.956
flat angles P-C4'-P energy: -47.520
tors. eta vs tors. theta energy: -51.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -887.622608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.622608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.622608 (E_RNA)
where:
Base-Base interactions energy: -553.431
where: short stacking energy: -248.506
Base-Backbone interact. energy: 1.104
local terms energy: -335.295638
where:
bonds (distance) C4'-P energy: -62.465
bonds (distance) P-C4' energy: -83.428
flat angles C4'-P-C4' energy: -83.614
flat angles P-C4'-P energy: -62.118
tors. eta vs tors. theta energy: -43.669
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: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -777.842208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.842208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.842208 (E_RNA)
where:
Base-Base interactions energy: -481.642
where: short stacking energy: -228.120
Base-Backbone interact. energy: 1.550
local terms energy: -297.750576
where:
bonds (distance) C4'-P energy: -56.544
bonds (distance) P-C4' energy: -89.948
flat angles C4'-P-C4' energy: -79.026
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -34.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -495.386150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.386150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.386150 (E_RNA)
where:
Base-Base interactions energy: -241.028
where: short stacking energy: -136.510
Base-Backbone interact. energy: -1.207
local terms energy: -253.150790
where:
bonds (distance) C4'-P energy: -58.542
bonds (distance) P-C4' energy: -82.033
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1644.448974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.448974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.448974 (E_RNA)
where:
Base-Base interactions energy: -1151.827
where: short stacking energy: -529.000
Base-Backbone interact. energy: -1.404
local terms energy: -491.217919
where:
bonds (distance) C4'-P energy: -79.274
bonds (distance) P-C4' energy: -91.658
flat angles C4'-P-C4' energy: -103.466
flat angles P-C4'-P energy: -68.852
tors. eta vs tors. theta energy: -147.968
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: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1579.681524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.681524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.681524 (E_RNA)
where:
Base-Base interactions energy: -1128.834
where: short stacking energy: -462.305
Base-Backbone interact. energy: -3.683
local terms energy: -447.165062
where:
bonds (distance) C4'-P energy: -75.849
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -107.468
flat angles P-C4'-P energy: -62.184
tors. eta vs tors. theta energy: -117.586
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: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1530.858101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.858101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.858101 (E_RNA)
where:
Base-Base interactions energy: -1063.010
where: short stacking energy: -471.165
Base-Backbone interact. energy: -2.057
local terms energy: -465.790840
where:
bonds (distance) C4'-P energy: -78.424
bonds (distance) P-C4' energy: -96.755
flat angles C4'-P-C4' energy: -97.624
flat angles P-C4'-P energy: -65.471
tors. eta vs tors. theta energy: -127.517
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: 185
Temperature: 1.050000
Total energy: -1424.144808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.144808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.144808 (E_RNA)
where:
Base-Base interactions energy: -979.936
where: short stacking energy: -413.158
Base-Backbone interact. energy: 2.479
local terms energy: -446.688373
where:
bonds (distance) C4'-P energy: -73.857
bonds (distance) P-C4' energy: -87.384
flat angles C4'-P-C4' energy: -100.895
flat angles P-C4'-P energy: -62.409
tors. eta vs tors. theta energy: -122.144
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1356.334745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.334745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.334745 (E_RNA)
where:
Base-Base interactions energy: -929.650
where: short stacking energy: -397.263
Base-Backbone interact. energy: -0.959
local terms energy: -425.726013
where:
bonds (distance) C4'-P energy: -91.113
bonds (distance) P-C4' energy: -81.875
flat angles C4'-P-C4' energy: -82.602
flat angles P-C4'-P energy: -67.728
tors. eta vs tors. theta energy: -102.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1248.917745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.917745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.917745 (E_RNA)
where:
Base-Base interactions energy: -850.529
where: short stacking energy: -385.314
Base-Backbone interact. energy: -0.444
local terms energy: -397.944486
where:
bonds (distance) C4'-P energy: -91.065
bonds (distance) P-C4' energy: -71.738
flat angles C4'-P-C4' energy: -85.631
flat angles P-C4'-P energy: -56.828
tors. eta vs tors. theta energy: -92.683
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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1059.465837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.465837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.465837 (E_RNA)
where:
Base-Base interactions energy: -690.753
where: short stacking energy: -318.950
Base-Backbone interact. energy: 1.222
local terms energy: -369.934615
where:
bonds (distance) C4'-P energy: -72.027
bonds (distance) P-C4' energy: -85.538
flat angles C4'-P-C4' energy: -83.101
flat angles P-C4'-P energy: -63.696
tors. eta vs tors. theta energy: -65.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -868.347974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.347974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.347974 (E_RNA)
where:
Base-Base interactions energy: -556.497
where: short stacking energy: -261.057
Base-Backbone interact. energy: 1.916
local terms energy: -313.766486
where:
bonds (distance) C4'-P energy: -63.302
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -53.319
tors. eta vs tors. theta energy: -49.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -849.195266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.195266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.195266 (E_RNA)
where:
Base-Base interactions energy: -529.299
where: short stacking energy: -230.100
Base-Backbone interact. energy: -1.459
local terms energy: -318.436998
where:
bonds (distance) C4'-P energy: -83.453
bonds (distance) P-C4' energy: -69.639
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -53.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -541.129622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.129622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.129622 (E_RNA)
where:
Base-Base interactions energy: -283.772
where: short stacking energy: -177.205
Base-Backbone interact. energy: 1.137
local terms energy: -258.494594
where:
bonds (distance) C4'-P energy: -72.589
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -45.998
tors. eta vs tors. theta energy: -15.973
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: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1637.947186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.947186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.947186 (E_RNA)
where:
Base-Base interactions energy: -1130.965
where: short stacking energy: -497.802
Base-Backbone interact. energy: -2.228
local terms energy: -504.754632
where:
bonds (distance) C4'-P energy: -97.113
bonds (distance) P-C4' energy: -95.357
flat angles C4'-P-C4' energy: -107.656
flat angles P-C4'-P energy: -68.576
tors. eta vs tors. theta energy: -136.053
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: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1553.267564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.267564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.267564 (E_RNA)
where:
Base-Base interactions energy: -1080.343
where: short stacking energy: -450.579
Base-Backbone interact. energy: -4.335
local terms energy: -468.589911
where:
bonds (distance) C4'-P energy: -95.587
bonds (distance) P-C4' energy: -89.694
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -67.349
tors. eta vs tors. theta energy: -124.170
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: 186
Temperature: 1.000000
Total energy: -1467.105520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.105520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.105520 (E_RNA)
where:
Base-Base interactions energy: -1012.311
where: short stacking energy: -455.451
Base-Backbone interact. energy: -2.055
local terms energy: -452.739602
where:
bonds (distance) C4'-P energy: -90.221
bonds (distance) P-C4' energy: -86.305
flat angles C4'-P-C4' energy: -102.230
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -122.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1466.818807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.818807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.818807 (E_RNA)
where:
Base-Base interactions energy: -1005.255
where: short stacking energy: -453.838
Base-Backbone interact. energy: -1.892
local terms energy: -459.671841
where:
bonds (distance) C4'-P energy: -87.875
bonds (distance) P-C4' energy: -80.128
flat angles C4'-P-C4' energy: -89.549
flat angles P-C4'-P energy: -64.685
tors. eta vs tors. theta energy: -137.436
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1302.094492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.094492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.094492 (E_RNA)
where:
Base-Base interactions energy: -885.500
where: short stacking energy: -362.420
Base-Backbone interact. energy: 0.984
local terms energy: -417.579005
where:
bonds (distance) C4'-P energy: -83.919
bonds (distance) P-C4' energy: -89.674
flat angles C4'-P-C4' energy: -89.339
flat angles P-C4'-P energy: -55.987
tors. eta vs tors. theta energy: -98.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1221.445857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.445857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.445857 (E_RNA)
where:
Base-Base interactions energy: -843.298
where: short stacking energy: -364.219
Base-Backbone interact. energy: 0.399
local terms energy: -378.547145
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -86.521
flat angles C4'-P-C4' energy: -73.897
flat angles P-C4'-P energy: -61.859
tors. eta vs tors. theta energy: -95.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1039.430853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.430853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.430853 (E_RNA)
where:
Base-Base interactions energy: -680.485
where: short stacking energy: -295.005
Base-Backbone interact. energy: -2.476
local terms energy: -356.469186
where:
bonds (distance) C4'-P energy: -80.704
bonds (distance) P-C4' energy: -84.183
flat angles C4'-P-C4' energy: -81.835
flat angles P-C4'-P energy: -50.865
tors. eta vs tors. theta energy: -58.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -843.770830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.770830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.770830 (E_RNA)
where:
Base-Base interactions energy: -507.770
where: short stacking energy: -252.556
Base-Backbone interact. energy: -1.912
local terms energy: -334.088929
where:
bonds (distance) C4'-P energy: -70.621
bonds (distance) P-C4' energy: -77.362
flat angles C4'-P-C4' energy: -87.700
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -42.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -787.739903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.739903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.739903 (E_RNA)
where:
Base-Base interactions energy: -483.002
where: short stacking energy: -234.652
Base-Backbone interact. energy: -3.732
local terms energy: -301.005822
where:
bonds (distance) C4'-P energy: -81.510
bonds (distance) P-C4' energy: -74.475
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -40.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -554.671432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.671432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.671432 (E_RNA)
where:
Base-Base interactions energy: -274.565
where: short stacking energy: -156.019
Base-Backbone interact. energy: -2.132
local terms energy: -277.974492
where:
bonds (distance) C4'-P energy: -71.112
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -70.997
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1659.791912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.791912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.791912 (E_RNA)
where:
Base-Base interactions energy: -1140.401
where: short stacking energy: -514.690
Base-Backbone interact. energy: 1.085
local terms energy: -520.475299
where:
bonds (distance) C4'-P energy: -90.515
bonds (distance) P-C4' energy: -89.459
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -73.994
tors. eta vs tors. theta energy: -148.648
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: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1548.449495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.449495 (E_RNA)
where:
Base-Base interactions energy: -1107.602
where: short stacking energy: -452.060
Base-Backbone interact. energy: -3.246
local terms energy: -437.601305
where:
bonds (distance) C4'-P energy: -75.101
bonds (distance) P-C4' energy: -77.587
flat angles C4'-P-C4' energy: -94.761
flat angles P-C4'-P energy: -60.093
tors. eta vs tors. theta energy: -130.060
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: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1508.501081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.501081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.501081 (E_RNA)
where:
Base-Base interactions energy: -1027.454
where: short stacking energy: -437.033
Base-Backbone interact. energy: -2.551
local terms energy: -478.496078
where:
bonds (distance) C4'-P energy: -90.535
bonds (distance) P-C4' energy: -92.758
flat angles C4'-P-C4' energy: -100.616
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -123.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1463.230992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.230992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.230992 (E_RNA)
where:
Base-Base interactions energy: -1007.526
where: short stacking energy: -450.992
Base-Backbone interact. energy: -2.297
local terms energy: -453.408722
where:
bonds (distance) C4'-P energy: -83.038
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -99.218
flat angles P-C4'-P energy: -67.098
tors. eta vs tors. theta energy: -126.595
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1341.938681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.938681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.938681 (E_RNA)
where:
Base-Base interactions energy: -905.953
where: short stacking energy: -422.363
Base-Backbone interact. energy: -2.529
local terms energy: -433.457368
where:
bonds (distance) C4'-P energy: -81.209
bonds (distance) P-C4' energy: -81.586
flat angles C4'-P-C4' energy: -102.273
flat angles P-C4'-P energy: -64.130
tors. eta vs tors. theta energy: -104.260
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: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1209.550042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.550042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.550042 (E_RNA)
where:
Base-Base interactions energy: -797.063
where: short stacking energy: -333.091
Base-Backbone interact. energy: -2.552
local terms energy: -409.935752
where:
bonds (distance) C4'-P energy: -82.111
bonds (distance) P-C4' energy: -88.993
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -60.416
tors. eta vs tors. theta energy: -90.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1059.589685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.589685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.589685 (E_RNA)
where:
Base-Base interactions energy: -710.699
where: short stacking energy: -317.858
Base-Backbone interact. energy: -2.000
local terms energy: -346.891127
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -81.161
flat angles C4'-P-C4' energy: -87.594
flat angles P-C4'-P energy: -44.512
tors. eta vs tors. theta energy: -66.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -824.359445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.359445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.359445 (E_RNA)
where:
Base-Base interactions energy: -497.290
where: short stacking energy: -252.643
Base-Backbone interact. energy: -1.516
local terms energy: -325.554124
where:
bonds (distance) C4'-P energy: -71.434
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -67.619
flat angles P-C4'-P energy: -59.450
tors. eta vs tors. theta energy: -47.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -759.010556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.010556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.010556 (E_RNA)
where:
Base-Base interactions energy: -458.067
where: short stacking energy: -211.373
Base-Backbone interact. energy: -0.498
local terms energy: -300.445633
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -67.163
flat angles C4'-P-C4' energy: -76.790
flat angles P-C4'-P energy: -53.732
tors. eta vs tors. theta energy: -33.263
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -593.154407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.154407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.154407 (E_RNA)
where:
Base-Base interactions energy: -348.916
where: short stacking energy: -173.780
Base-Backbone interact. energy: 0.923
local terms energy: -245.162023
where:
bonds (distance) C4'-P energy: -62.006
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1654.102366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.102366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.102366 (E_RNA)
where:
Base-Base interactions energy: -1134.306
where: short stacking energy: -519.811
Base-Backbone interact. energy: -1.535
local terms energy: -518.261147
where:
bonds (distance) C4'-P energy: -102.358
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -102.517
flat angles P-C4'-P energy: -72.343
tors. eta vs tors. theta energy: -144.917
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1577.215482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.215482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.215482 (E_RNA)
where:
Base-Base interactions energy: -1124.529
where: short stacking energy: -469.732
Base-Backbone interact. energy: -1.246
local terms energy: -451.441328
where:
bonds (distance) C4'-P energy: -87.976
bonds (distance) P-C4' energy: -80.045
flat angles C4'-P-C4' energy: -97.215
flat angles P-C4'-P energy: -56.956
tors. eta vs tors. theta energy: -129.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1528.284847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.284847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.284847 (E_RNA)
where:
Base-Base interactions energy: -1051.125
where: short stacking energy: -469.692
Base-Backbone interact. energy: -0.917
local terms energy: -476.242514
where:
bonds (distance) C4'-P energy: -90.151
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -105.028
flat angles P-C4'-P energy: -65.862
tors. eta vs tors. theta energy: -128.037
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: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1470.798221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.798221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.798221 (E_RNA)
where:
Base-Base interactions energy: -1000.207
where: short stacking energy: -481.299
Base-Backbone interact. energy: -2.995
local terms energy: -467.596458
where:
bonds (distance) C4'-P energy: -71.255
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -98.260
flat angles P-C4'-P energy: -68.560
tors. eta vs tors. theta energy: -136.116
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: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1314.309381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.309381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.309381 (E_RNA)
where:
Base-Base interactions energy: -889.074
where: short stacking energy: -386.966
Base-Backbone interact. energy: -2.482
local terms energy: -422.752971
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -96.658
flat angles C4'-P-C4' energy: -89.790
flat angles P-C4'-P energy: -62.190
tors. eta vs tors. theta energy: -89.076
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: 188
Temperature: 1.150000
Total energy: -1243.421017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.421017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.421017 (E_RNA)
where:
Base-Base interactions energy: -836.957
where: short stacking energy: -366.105
Base-Backbone interact. energy: -1.368
local terms energy: -405.095652
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -83.777
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -98.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1079.633912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.633912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.633912 (E_RNA)
where:
Base-Base interactions energy: -732.373
where: short stacking energy: -327.212
Base-Backbone interact. energy: 0.050
local terms energy: -347.311252
where:
bonds (distance) C4'-P energy: -65.472
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -79.893
flat angles P-C4'-P energy: -52.841
tors. eta vs tors. theta energy: -82.037
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: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -815.241599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.241599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.241599 (E_RNA)
where:
Base-Base interactions energy: -505.828
where: short stacking energy: -254.125
Base-Backbone interact. energy: 5.318
local terms energy: -314.731789
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -80.094
flat angles C4'-P-C4' energy: -79.109
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -40.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -753.747338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.747338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.747338 (E_RNA)
where:
Base-Base interactions energy: -466.783
where: short stacking energy: -218.226
Base-Backbone interact. energy: 1.109
local terms energy: -288.072749
where:
bonds (distance) C4'-P energy: -63.269
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -81.536
flat angles P-C4'-P energy: -53.559
tors. eta vs tors. theta energy: -28.178
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: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -693.893953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.893953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.893953 (E_RNA)
where:
Base-Base interactions energy: -408.914
where: short stacking energy: -177.777
Base-Backbone interact. energy: 1.741
local terms energy: -286.720991
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -86.581
flat angles C4'-P-C4' energy: -79.551
flat angles P-C4'-P energy: -50.280
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1643.629102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.629102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.629102 (E_RNA)
where:
Base-Base interactions energy: -1138.929
where: short stacking energy: -502.081
Base-Backbone interact. energy: 1.770
local terms energy: -506.470616
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -94.445
flat angles C4'-P-C4' energy: -107.915
flat angles P-C4'-P energy: -71.135
tors. eta vs tors. theta energy: -148.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1558.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.631966 (E_RNA)
where:
Base-Base interactions energy: -1092.378
where: short stacking energy: -446.249
Base-Backbone interact. energy: -4.428
local terms energy: -461.825259
where:
bonds (distance) C4'-P energy: -79.208
bonds (distance) P-C4' energy: -87.932
flat angles C4'-P-C4' energy: -100.123
flat angles P-C4'-P energy: -67.919
tors. eta vs tors. theta energy: -126.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1518.779785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.779785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.779785 (E_RNA)
where:
Base-Base interactions energy: -1049.164
where: short stacking energy: -465.791
Base-Backbone interact. energy: -0.285
local terms energy: -469.331271
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -90.036
flat angles C4'-P-C4' energy: -105.314
flat angles P-C4'-P energy: -58.684
tors. eta vs tors. theta energy: -122.804
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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1486.799981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.799981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.799981 (E_RNA)
where:
Base-Base interactions energy: -1000.157
where: short stacking energy: -453.699
Base-Backbone interact. energy: -2.025
local terms energy: -484.618214
where:
bonds (distance) C4'-P energy: -81.709
bonds (distance) P-C4' energy: -93.223
flat angles C4'-P-C4' energy: -103.538
flat angles P-C4'-P energy: -75.171
tors. eta vs tors. theta energy: -130.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1320.905236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.905236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.905236 (E_RNA)
where:
Base-Base interactions energy: -909.131
where: short stacking energy: -401.968
Base-Backbone interact. energy: -1.626
local terms energy: -410.148857
where:
bonds (distance) C4'-P energy: -74.741
bonds (distance) P-C4' energy: -77.349
flat angles C4'-P-C4' energy: -103.292
flat angles P-C4'-P energy: -46.924
tors. eta vs tors. theta energy: -107.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1234.920789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.920789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.920789 (E_RNA)
where:
Base-Base interactions energy: -840.905
where: short stacking energy: -381.661
Base-Backbone interact. energy: -1.554
local terms energy: -392.462083
where:
bonds (distance) C4'-P energy: -71.330
bonds (distance) P-C4' energy: -88.534
flat angles C4'-P-C4' energy: -83.483
flat angles P-C4'-P energy: -63.648
tors. eta vs tors. theta energy: -85.468
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1010.946423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.946423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.946423 (E_RNA)
where:
Base-Base interactions energy: -665.919
where: short stacking energy: -274.501
Base-Backbone interact. energy: 0.988
local terms energy: -346.015860
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -81.956
flat angles C4'-P-C4' energy: -85.933
flat angles P-C4'-P energy: -52.195
tors. eta vs tors. theta energy: -51.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -820.983625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.983625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.983625 (E_RNA)
where:
Base-Base interactions energy: -530.331
where: short stacking energy: -255.368
Base-Backbone interact. energy: -0.581
local terms energy: -290.071571
where:
bonds (distance) C4'-P energy: -65.176
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -74.103
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -40.510
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: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -766.039066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.039066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.039066 (E_RNA)
where:
Base-Base interactions energy: -482.500
where: short stacking energy: -231.450
Base-Backbone interact. energy: 9.070
local terms energy: -292.608750
where:
bonds (distance) C4'-P energy: -67.225
bonds (distance) P-C4' energy: -79.277
flat angles C4'-P-C4' energy: -74.296
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -650.831500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.831500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.831500 (E_RNA)
where:
Base-Base interactions energy: -376.449
where: short stacking energy: -182.615
Base-Backbone interact. energy: -1.064
local terms energy: -273.319155
where:
bonds (distance) C4'-P energy: -81.877
bonds (distance) P-C4' energy: -81.878
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1662.230479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.230479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.230479 (E_RNA)
where:
Base-Base interactions energy: -1161.913
where: short stacking energy: -514.810
Base-Backbone interact. energy: -2.103
local terms energy: -498.215226
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -84.250
flat angles C4'-P-C4' energy: -102.490
flat angles P-C4'-P energy: -71.604
tors. eta vs tors. theta energy: -141.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1557.012639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.012639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.012639 (E_RNA)
where:
Base-Base interactions energy: -1087.894
where: short stacking energy: -469.564
Base-Backbone interact. energy: -2.500
local terms energy: -466.618408
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -99.908
flat angles C4'-P-C4' energy: -102.892
flat angles P-C4'-P energy: -60.586
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: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1504.087016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.087016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.087016 (E_RNA)
where:
Base-Base interactions energy: -1029.323
where: short stacking energy: -481.846
Base-Backbone interact. energy: -2.117
local terms energy: -472.646871
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -86.052
flat angles C4'-P-C4' energy: -106.529
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -140.835
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: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1458.877196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.877196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.877196 (E_RNA)
where:
Base-Base interactions energy: -997.028
where: short stacking energy: -462.014
Base-Backbone interact. energy: -2.874
local terms energy: -458.975015
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -81.365
flat angles C4'-P-C4' energy: -103.316
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -124.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1304.283113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.283113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.283113 (E_RNA)
where:
Base-Base interactions energy: -882.651
where: short stacking energy: -387.034
Base-Backbone interact. energy: 2.631
local terms energy: -424.263482
where:
bonds (distance) C4'-P energy: -86.418
bonds (distance) P-C4' energy: -84.558
flat angles C4'-P-C4' energy: -87.740
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -107.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1234.129194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.129194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.129194 (E_RNA)
where:
Base-Base interactions energy: -850.288
where: short stacking energy: -380.738
Base-Backbone interact. energy: -1.760
local terms energy: -382.082089
where:
bonds (distance) C4'-P energy: -79.143
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -92.229
flat angles P-C4'-P energy: -58.142
tors. eta vs tors. theta energy: -87.927
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: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1014.822266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.822266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.822266 (E_RNA)
where:
Base-Base interactions energy: -673.296
where: short stacking energy: -304.130
Base-Backbone interact. energy: 1.599
local terms energy: -343.125030
where:
bonds (distance) C4'-P energy: -69.673
bonds (distance) P-C4' energy: -74.453
flat angles C4'-P-C4' energy: -83.435
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -56.344
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -870.626896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.626896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.626896 (E_RNA)
where:
Base-Base interactions energy: -538.565
where: short stacking energy: -264.621
Base-Backbone interact. energy: -3.972
local terms energy: -328.090107
where:
bonds (distance) C4'-P energy: -72.238
bonds (distance) P-C4' energy: -81.975
flat angles C4'-P-C4' energy: -75.295
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -54.971
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: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -813.360869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.360869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.360869 (E_RNA)
where:
Base-Base interactions energy: -516.676
where: short stacking energy: -245.846
Base-Backbone interact. energy: -0.410
local terms energy: -296.274896
where:
bonds (distance) C4'-P energy: -60.763
bonds (distance) P-C4' energy: -83.739
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -34.071
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -636.692942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.692942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.692942 (E_RNA)
where:
Base-Base interactions energy: -358.451
where: short stacking energy: -183.974
Base-Backbone interact. energy: -1.136
local terms energy: -277.106239
where:
bonds (distance) C4'-P energy: -77.981
bonds (distance) P-C4' energy: -78.141
flat angles C4'-P-C4' energy: -67.996
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1661.849337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.849337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.849337 (E_RNA)
where:
Base-Base interactions energy: -1146.633
where: short stacking energy: -504.102
Base-Backbone interact. energy: -1.724
local terms energy: -513.493043
where:
bonds (distance) C4'-P energy: -84.027
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -111.006
flat angles P-C4'-P energy: -80.620
tors. eta vs tors. theta energy: -150.186
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1584.656198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.656198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.656198 (E_RNA)
where:
Base-Base interactions energy: -1093.481
where: short stacking energy: -438.066
Base-Backbone interact. energy: -0.564
local terms energy: -490.611730
where:
bonds (distance) C4'-P energy: -90.930
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -96.659
flat angles P-C4'-P energy: -74.496
tors. eta vs tors. theta energy: -127.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1543.821385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.821385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.821385 (E_RNA)
where:
Base-Base interactions energy: -1092.423
where: short stacking energy: -478.301
Base-Backbone interact. energy: -1.510
local terms energy: -449.888485
where:
bonds (distance) C4'-P energy: -75.161
bonds (distance) P-C4' energy: -76.796
flat angles C4'-P-C4' energy: -104.203
flat angles P-C4'-P energy: -60.730
tors. eta vs tors. theta energy: -132.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1453.472719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.472719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.472719 (E_RNA)
where:
Base-Base interactions energy: -985.431
where: short stacking energy: -433.147
Base-Backbone interact. energy: -2.743
local terms energy: -465.298369
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -82.642
flat angles C4'-P-C4' energy: -101.938
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -128.645
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: 191
Temperature: 1.100000
Total energy: -1280.354367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.354367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.354367 (E_RNA)
where:
Base-Base interactions energy: -874.520
where: short stacking energy: -393.765
Base-Backbone interact. energy: -0.962
local terms energy: -404.872213
where:
bonds (distance) C4'-P energy: -73.835
bonds (distance) P-C4' energy: -89.182
flat angles C4'-P-C4' energy: -101.424
flat angles P-C4'-P energy: -49.690
tors. eta vs tors. theta energy: -90.742
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: 191
Temperature: 1.150000
Total energy: -1208.287769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.287769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.287769 (E_RNA)
where:
Base-Base interactions energy: -806.059
where: short stacking energy: -348.002
Base-Backbone interact. energy: 1.823
local terms energy: -404.051628
where:
bonds (distance) C4'-P energy: -84.107
bonds (distance) P-C4' energy: -81.433
flat angles C4'-P-C4' energy: -93.321
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -94.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1030.595095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.595095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.595095 (E_RNA)
where:
Base-Base interactions energy: -708.249
where: short stacking energy: -290.151
Base-Backbone interact. energy: -3.259
local terms energy: -319.087241
where:
bonds (distance) C4'-P energy: -62.150
bonds (distance) P-C4' energy: -78.747
flat angles C4'-P-C4' energy: -84.001
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -54.683
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: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -839.626635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.626635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.626635 (E_RNA)
where:
Base-Base interactions energy: -508.413
where: short stacking energy: -261.138
Base-Backbone interact. energy: -3.303
local terms energy: -327.910291
where:
bonds (distance) C4'-P energy: -73.164
bonds (distance) P-C4' energy: -82.075
flat angles C4'-P-C4' energy: -82.793
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -49.252
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: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -861.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.462501 (E_RNA)
where:
Base-Base interactions energy: -576.754
where: short stacking energy: -276.931
Base-Backbone interact. energy: -0.717
local terms energy: -283.991654
where:
bonds (distance) C4'-P energy: -62.083
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -78.865
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -45.005
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -634.628334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.628334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.628334 (E_RNA)
where:
Base-Base interactions energy: -362.340
where: short stacking energy: -188.128
Base-Backbone interact. energy: -2.982
local terms energy: -269.305909
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -76.836
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1660.993639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.993639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.993639 (E_RNA)
where:
Base-Base interactions energy: -1145.457
where: short stacking energy: -510.673
Base-Backbone interact. energy: -0.349
local terms energy: -515.187418
where:
bonds (distance) C4'-P energy: -92.342
bonds (distance) P-C4' energy: -103.418
flat angles C4'-P-C4' energy: -106.944
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -142.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1607.240810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.240810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.240810 (E_RNA)
where:
Base-Base interactions energy: -1114.893
where: short stacking energy: -476.919
Base-Backbone interact. energy: 0.710
local terms energy: -493.058392
where:
bonds (distance) C4'-P energy: -87.741
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -103.443
flat angles P-C4'-P energy: -80.410
tors. eta vs tors. theta energy: -129.782
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: 192
Temperature: 1.000000
Total energy: -1556.930273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.930273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.930273 (E_RNA)
where:
Base-Base interactions energy: -1089.969
where: short stacking energy: -477.389
Base-Backbone interact. energy: 2.184
local terms energy: -469.144674
where:
bonds (distance) C4'-P energy: -76.869
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -97.526
flat angles P-C4'-P energy: -72.166
tors. eta vs tors. theta energy: -135.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1414.111365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.111365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.111365 (E_RNA)
where:
Base-Base interactions energy: -976.412
where: short stacking energy: -426.372
Base-Backbone interact. energy: -2.422
local terms energy: -435.277735
where:
bonds (distance) C4'-P energy: -73.420
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -63.875
tors. eta vs tors. theta energy: -111.432
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: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1385.862757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.862757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.862757 (E_RNA)
where:
Base-Base interactions energy: -951.426
where: short stacking energy: -428.743
Base-Backbone interact. energy: -1.961
local terms energy: -432.474948
where:
bonds (distance) C4'-P energy: -77.735
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -88.150
flat angles P-C4'-P energy: -72.404
tors. eta vs tors. theta energy: -117.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1237.378498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.378498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.378498 (E_RNA)
where:
Base-Base interactions energy: -816.015
where: short stacking energy: -352.516
Base-Backbone interact. energy: 1.570
local terms energy: -422.933451
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -85.675
flat angles C4'-P-C4' energy: -86.471
flat angles P-C4'-P energy: -52.626
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: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1056.475539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.475539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.475539 (E_RNA)
where:
Base-Base interactions energy: -706.240
where: short stacking energy: -312.211
Base-Backbone interact. energy: -0.130
local terms energy: -350.105110
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -77.313
flat angles C4'-P-C4' energy: -77.703
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: -70.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -905.950555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.950555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.950555 (E_RNA)
where:
Base-Base interactions energy: -569.383
where: short stacking energy: -266.438
Base-Backbone interact. energy: -0.545
local terms energy: -336.022147
where:
bonds (distance) C4'-P energy: -72.434
bonds (distance) P-C4' energy: -83.500
flat angles C4'-P-C4' energy: -87.189
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: -47.958
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: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -854.502866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.502866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.502866 (E_RNA)
where:
Base-Base interactions energy: -553.797
where: short stacking energy: -258.895
Base-Backbone interact. energy: 0.287
local terms energy: -300.992870
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -64.922
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -39.176
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -577.715207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.715207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.715207 (E_RNA)
where:
Base-Base interactions energy: -322.538
where: short stacking energy: -159.624
Base-Backbone interact. energy: 2.862
local terms energy: -258.038781
where:
bonds (distance) C4'-P energy: -75.180
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -65.848
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1661.153899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.153899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.153899 (E_RNA)
where:
Base-Base interactions energy: -1156.548
where: short stacking energy: -516.611
Base-Backbone interact. energy: -1.078
local terms energy: -503.527807
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -92.871
flat angles C4'-P-C4' energy: -110.952
flat angles P-C4'-P energy: -66.663
tors. eta vs tors. theta energy: -144.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1594.730402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.730402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.730402 (E_RNA)
where:
Base-Base interactions energy: -1127.380
where: short stacking energy: -446.815
Base-Backbone interact. energy: -2.436
local terms energy: -464.913500
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -87.966
flat angles C4'-P-C4' energy: -101.517
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -115.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1553.894716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.894716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.894716 (E_RNA)
where:
Base-Base interactions energy: -1100.757
where: short stacking energy: -498.049
Base-Backbone interact. energy: -1.398
local terms energy: -451.739850
where:
bonds (distance) C4'-P energy: -89.640
bonds (distance) P-C4' energy: -66.841
flat angles C4'-P-C4' energy: -96.610
flat angles P-C4'-P energy: -59.587
tors. eta vs tors. theta energy: -139.061
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: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1419.291032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.291032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.291032 (E_RNA)
where:
Base-Base interactions energy: -971.060
where: short stacking energy: -405.474
Base-Backbone interact. energy: -0.974
local terms energy: -447.256996
where:
bonds (distance) C4'-P energy: -88.971
bonds (distance) P-C4' energy: -83.339
flat angles C4'-P-C4' energy: -93.543
flat angles P-C4'-P energy: -71.766
tors. eta vs tors. theta energy: -109.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1423.844155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.844155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.844155 (E_RNA)
where:
Base-Base interactions energy: -982.362
where: short stacking energy: -431.678
Base-Backbone interact. energy: -2.797
local terms energy: -438.684600
where:
bonds (distance) C4'-P energy: -76.722
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -54.638
tors. eta vs tors. theta energy: -119.075
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1221.469030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.469030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.469030 (E_RNA)
where:
Base-Base interactions energy: -824.534
where: short stacking energy: -381.650
Base-Backbone interact. energy: -0.528
local terms energy: -396.406216
where:
bonds (distance) C4'-P energy: -82.283
bonds (distance) P-C4' energy: -87.342
flat angles C4'-P-C4' energy: -76.803
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -91.304
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: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1036.326168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.326168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.326168 (E_RNA)
where:
Base-Base interactions energy: -681.432
where: short stacking energy: -316.865
Base-Backbone interact. energy: 1.657
local terms energy: -356.550523
where:
bonds (distance) C4'-P energy: -74.122
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -88.476
flat angles P-C4'-P energy: -53.951
tors. eta vs tors. theta energy: -69.743
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: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -917.644272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.644272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.644272 (E_RNA)
where:
Base-Base interactions energy: -595.570
where: short stacking energy: -308.744
Base-Backbone interact. energy: 0.896
local terms energy: -322.969944
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -73.590
flat angles C4'-P-C4' energy: -76.389
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -61.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -756.536096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.536096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.536096 (E_RNA)
where:
Base-Base interactions energy: -460.977
where: short stacking energy: -214.603
Base-Backbone interact. energy: -3.513
local terms energy: -292.045871
where:
bonds (distance) C4'-P energy: -69.389
bonds (distance) P-C4' energy: -86.150
flat angles C4'-P-C4' energy: -69.494
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -32.180
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: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -602.443679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.443679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.443679 (E_RNA)
where:
Base-Base interactions energy: -339.785
where: short stacking energy: -177.442
Base-Backbone interact. energy: -0.165
local terms energy: -262.493832
where:
bonds (distance) C4'-P energy: -70.923
bonds (distance) P-C4' energy: -76.860
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1658.797322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.797322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.797322 (E_RNA)
where:
Base-Base interactions energy: -1165.487
where: short stacking energy: -510.318
Base-Backbone interact. energy: 0.221
local terms energy: -493.531138
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -85.442
flat angles C4'-P-C4' energy: -103.816
flat angles P-C4'-P energy: -67.187
tors. eta vs tors. theta energy: -145.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1574.720993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.720993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.720993 (E_RNA)
where:
Base-Base interactions energy: -1096.912
where: short stacking energy: -471.898
Base-Backbone interact. energy: -3.270
local terms energy: -474.538396
where:
bonds (distance) C4'-P energy: -87.773
bonds (distance) P-C4' energy: -93.404
flat angles C4'-P-C4' energy: -95.358
flat angles P-C4'-P energy: -78.128
tors. eta vs tors. theta energy: -119.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1589.945504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.945504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.945504 (E_RNA)
where:
Base-Base interactions energy: -1099.316
where: short stacking energy: -506.349
Base-Backbone interact. energy: -1.742
local terms energy: -488.887999
where:
bonds (distance) C4'-P energy: -86.548
bonds (distance) P-C4' energy: -98.602
flat angles C4'-P-C4' energy: -105.939
flat angles P-C4'-P energy: -61.013
tors. eta vs tors. theta energy: -136.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1427.992205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.992205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.992205 (E_RNA)
where:
Base-Base interactions energy: -989.883
where: short stacking energy: -440.616
Base-Backbone interact. energy: -1.250
local terms energy: -436.859457
where:
bonds (distance) C4'-P energy: -84.337
bonds (distance) P-C4' energy: -78.267
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -115.008
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: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1388.056730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.056730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.056730 (E_RNA)
where:
Base-Base interactions energy: -966.004
where: short stacking energy: -416.746
Base-Backbone interact. energy: -2.570
local terms energy: -419.482833
where:
bonds (distance) C4'-P energy: -81.696
bonds (distance) P-C4' energy: -88.475
flat angles C4'-P-C4' energy: -91.576
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -113.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1191.781510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.781510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.781510 (E_RNA)
where:
Base-Base interactions energy: -811.221
where: short stacking energy: -364.921
Base-Backbone interact. energy: -1.584
local terms energy: -378.976372
where:
bonds (distance) C4'-P energy: -75.823
bonds (distance) P-C4' energy: -71.740
flat angles C4'-P-C4' energy: -83.429
flat angles P-C4'-P energy: -64.512
tors. eta vs tors. theta energy: -83.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1057.170049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.170049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.170049 (E_RNA)
where:
Base-Base interactions energy: -718.366
where: short stacking energy: -318.263
Base-Backbone interact. energy: -0.886
local terms energy: -337.918552
where:
bonds (distance) C4'-P energy: -80.999
bonds (distance) P-C4' energy: -82.062
flat angles C4'-P-C4' energy: -71.733
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -63.166
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -905.367880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.367880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.367880 (E_RNA)
where:
Base-Base interactions energy: -539.156
where: short stacking energy: -238.885
Base-Backbone interact. energy: -1.981
local terms energy: -364.231075
where:
bonds (distance) C4'-P energy: -92.718
bonds (distance) P-C4' energy: -80.725
flat angles C4'-P-C4' energy: -84.012
flat angles P-C4'-P energy: -61.239
tors. eta vs tors. theta energy: -45.537
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: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -795.995989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.995989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.995989 (E_RNA)
where:
Base-Base interactions energy: -488.383
where: short stacking energy: -227.402
Base-Backbone interact. energy: -1.217
local terms energy: -306.395667
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -84.817
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -39.038
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: 194
Temperature: 1.350000
Total energy: -563.527810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.527810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.527810 (E_RNA)
where:
Base-Base interactions energy: -311.451
where: short stacking energy: -194.268
Base-Backbone interact. energy: -0.480
local terms energy: -251.597180
where:
bonds (distance) C4'-P energy: -78.174
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1631.855132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.855132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.855132 (E_RNA)
where:
Base-Base interactions energy: -1109.277
where: short stacking energy: -505.415
Base-Backbone interact. energy: -4.648
local terms energy: -517.930286
where:
bonds (distance) C4'-P energy: -88.420
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -79.566
tors. eta vs tors. theta energy: -144.961
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: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1602.120548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.120548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.120548 (E_RNA)
where:
Base-Base interactions energy: -1137.320
where: short stacking energy: -468.969
Base-Backbone interact. energy: -2.935
local terms energy: -461.865990
where:
bonds (distance) C4'-P energy: -86.339
bonds (distance) P-C4' energy: -82.744
flat angles C4'-P-C4' energy: -106.224
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -124.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1546.909995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.909995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.909995 (E_RNA)
where:
Base-Base interactions energy: -1054.365
where: short stacking energy: -485.124
Base-Backbone interact. energy: -1.182
local terms energy: -491.363347
where:
bonds (distance) C4'-P energy: -84.070
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -110.969
flat angles P-C4'-P energy: -64.342
tors. eta vs tors. theta energy: -138.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1450.875672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.875672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.875672 (E_RNA)
where:
Base-Base interactions energy: -996.968
where: short stacking energy: -421.023
Base-Backbone interact. energy: -1.035
local terms energy: -452.873294
where:
bonds (distance) C4'-P energy: -85.286
bonds (distance) P-C4' energy: -93.798
flat angles C4'-P-C4' energy: -96.646
flat angles P-C4'-P energy: -56.543
tors. eta vs tors. theta energy: -120.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1345.542897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.542897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.542897 (E_RNA)
where:
Base-Base interactions energy: -936.657
where: short stacking energy: -404.518
Base-Backbone interact. energy: -3.694
local terms energy: -405.191402
where:
bonds (distance) C4'-P energy: -76.501
bonds (distance) P-C4' energy: -78.542
flat angles C4'-P-C4' energy: -82.269
flat angles P-C4'-P energy: -63.963
tors. eta vs tors. theta energy: -103.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1209.061830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.061830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.061830 (E_RNA)
where:
Base-Base interactions energy: -810.072
where: short stacking energy: -363.806
Base-Backbone interact. energy: -2.826
local terms energy: -396.163540
where:
bonds (distance) C4'-P energy: -66.842
bonds (distance) P-C4' energy: -85.432
flat angles C4'-P-C4' energy: -96.217
flat angles P-C4'-P energy: -57.083
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: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1037.177226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.177226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.177226 (E_RNA)
where:
Base-Base interactions energy: -702.206
where: short stacking energy: -293.649
Base-Backbone interact. energy: -2.692
local terms energy: -332.279735
where:
bonds (distance) C4'-P energy: -72.708
bonds (distance) P-C4' energy: -76.668
flat angles C4'-P-C4' energy: -82.584
flat angles P-C4'-P energy: -50.480
tors. eta vs tors. theta energy: -49.839
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: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -876.778366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.778366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.778366 (E_RNA)
where:
Base-Base interactions energy: -585.554
where: short stacking energy: -267.454
Base-Backbone interact. energy: -1.383
local terms energy: -289.841117
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -76.195
flat angles P-C4'-P energy: -38.310
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -780.675152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.675152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.675152 (E_RNA)
where:
Base-Base interactions energy: -468.938
where: short stacking energy: -216.723
Base-Backbone interact. energy: 1.334
local terms energy: -313.071373
where:
bonds (distance) C4'-P energy: -72.627
bonds (distance) P-C4' energy: -86.009
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -32.435
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: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -590.796329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.796329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.796329 (E_RNA)
where:
Base-Base interactions energy: -326.556
where: short stacking energy: -179.205
Base-Backbone interact. energy: 2.040
local terms energy: -266.280301
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -65.239
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -8.285
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: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1666.980904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.980904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.980904 (E_RNA)
where:
Base-Base interactions energy: -1147.661
where: short stacking energy: -512.092
Base-Backbone interact. energy: -0.756
local terms energy: -518.564145
where:
bonds (distance) C4'-P energy: -99.730
bonds (distance) P-C4' energy: -102.125
flat angles C4'-P-C4' energy: -100.881
flat angles P-C4'-P energy: -70.424
tors. eta vs tors. theta energy: -145.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1583.734936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.734936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.734936 (E_RNA)
where:
Base-Base interactions energy: -1115.989
where: short stacking energy: -466.374
Base-Backbone interact. energy: -2.113
local terms energy: -465.632793
where:
bonds (distance) C4'-P energy: -82.292
bonds (distance) P-C4' energy: -90.212
flat angles C4'-P-C4' energy: -99.785
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -127.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1558.562379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.562379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.562379 (E_RNA)
where:
Base-Base interactions energy: -1076.729
where: short stacking energy: -488.238
Base-Backbone interact. energy: 7.090
local terms energy: -488.923793
where:
bonds (distance) C4'-P energy: -84.800
bonds (distance) P-C4' energy: -102.479
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -54.007
tors. eta vs tors. theta energy: -142.878
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: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1421.399497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.399497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.399497 (E_RNA)
where:
Base-Base interactions energy: -992.223
where: short stacking energy: -419.232
Base-Backbone interact. energy: -1.369
local terms energy: -427.807111
where:
bonds (distance) C4'-P energy: -78.137
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -84.433
flat angles P-C4'-P energy: -67.374
tors. eta vs tors. theta energy: -113.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1361.718375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.718375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.718375 (E_RNA)
where:
Base-Base interactions energy: -925.717
where: short stacking energy: -424.246
Base-Backbone interact. energy: 0.324
local terms energy: -436.325666
where:
bonds (distance) C4'-P energy: -86.063
bonds (distance) P-C4' energy: -80.997
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -116.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1184.380313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.380313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.380313 (E_RNA)
where:
Base-Base interactions energy: -815.884
where: short stacking energy: -345.134
Base-Backbone interact. energy: 0.359
local terms energy: -368.855798
where:
bonds (distance) C4'-P energy: -71.715
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -87.349
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: -78.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1048.487692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.487692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.487692 (E_RNA)
where:
Base-Base interactions energy: -693.274
where: short stacking energy: -313.262
Base-Backbone interact. energy: -1.759
local terms energy: -353.454720
where:
bonds (distance) C4'-P energy: -72.813
bonds (distance) P-C4' energy: -74.501
flat angles C4'-P-C4' energy: -87.923
flat angles P-C4'-P energy: -51.800
tors. eta vs tors. theta energy: -66.416
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -847.442802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.442802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.442802 (E_RNA)
where:
Base-Base interactions energy: -532.962
where: short stacking energy: -246.354
Base-Backbone interact. energy: 1.290
local terms energy: -315.771567
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -82.112
flat angles C4'-P-C4' energy: -88.713
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -41.971
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -779.943935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.943935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.943935 (E_RNA)
where:
Base-Base interactions energy: -470.490
where: short stacking energy: -225.363
Base-Backbone interact. energy: -0.626
local terms energy: -308.828062
where:
bonds (distance) C4'-P energy: -70.630
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -595.917056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.917056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.917056 (E_RNA)
where:
Base-Base interactions energy: -335.544
where: short stacking energy: -172.630
Base-Backbone interact. energy: -2.148
local terms energy: -258.224770
where:
bonds (distance) C4'-P energy: -74.457
bonds (distance) P-C4' energy: -76.045
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -38.321
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1646.742230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.742230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.742230 (E_RNA)
where:
Base-Base interactions energy: -1136.821
where: short stacking energy: -489.866
Base-Backbone interact. energy: 1.504
local terms energy: -511.425152
where:
bonds (distance) C4'-P energy: -81.710
bonds (distance) P-C4' energy: -94.431
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -84.562
tors. eta vs tors. theta energy: -138.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1590.458160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.458160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.458160 (E_RNA)
where:
Base-Base interactions energy: -1115.364
where: short stacking energy: -472.114
Base-Backbone interact. energy: 4.667
local terms energy: -479.761057
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -98.907
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -62.701
tors. eta vs tors. theta energy: -133.809
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: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1544.604048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.604048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.604048 (E_RNA)
where:
Base-Base interactions energy: -1103.150
where: short stacking energy: -441.709
Base-Backbone interact. energy: 1.989
local terms energy: -443.443172
where:
bonds (distance) C4'-P energy: -86.502
bonds (distance) P-C4' energy: -86.728
flat angles C4'-P-C4' energy: -98.205
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -119.428
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: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1454.070137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.070137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.070137 (E_RNA)
where:
Base-Base interactions energy: -1014.467
where: short stacking energy: -448.991
Base-Backbone interact. energy: 1.109
local terms energy: -440.712324
where:
bonds (distance) C4'-P energy: -80.406
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -92.178
flat angles P-C4'-P energy: -60.744
tors. eta vs tors. theta energy: -120.906
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: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1371.404512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.404512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.404512 (E_RNA)
where:
Base-Base interactions energy: -943.185
where: short stacking energy: -419.320
Base-Backbone interact. energy: -3.163
local terms energy: -425.056163
where:
bonds (distance) C4'-P energy: -88.943
bonds (distance) P-C4' energy: -74.441
flat angles C4'-P-C4' energy: -95.158
flat angles P-C4'-P energy: -54.227
tors. eta vs tors. theta energy: -112.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1190.697844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.697844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.697844 (E_RNA)
where:
Base-Base interactions energy: -803.963
where: short stacking energy: -353.240
Base-Backbone interact. energy: 1.781
local terms energy: -388.515408
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -87.116
flat angles C4'-P-C4' energy: -74.883
flat angles P-C4'-P energy: -48.466
tors. eta vs tors. theta energy: -88.180
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: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1034.010534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.010534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.010534 (E_RNA)
where:
Base-Base interactions energy: -692.053
where: short stacking energy: -269.726
Base-Backbone interact. energy: -2.196
local terms energy: -339.761815
where:
bonds (distance) C4'-P energy: -77.109
bonds (distance) P-C4' energy: -92.351
flat angles C4'-P-C4' energy: -79.762
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -48.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -792.834561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.834561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.834561 (E_RNA)
where:
Base-Base interactions energy: -502.091
where: short stacking energy: -273.711
Base-Backbone interact. energy: 0.765
local terms energy: -291.508837
where:
bonds (distance) C4'-P energy: -58.200
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -38.790
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: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -861.019245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.019245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.019245 (E_RNA)
where:
Base-Base interactions energy: -549.314
where: short stacking energy: -214.509
Base-Backbone interact. energy: 1.071
local terms energy: -312.777019
where:
bonds (distance) C4'-P energy: -77.327
bonds (distance) P-C4' energy: -80.980
flat angles C4'-P-C4' energy: -78.125
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: -31.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -596.958466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.958466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.958466 (E_RNA)
where:
Base-Base interactions energy: -344.481
where: short stacking energy: -177.915
Base-Backbone interact. energy: 1.633
local terms energy: -254.110332
where:
bonds (distance) C4'-P energy: -73.141
bonds (distance) P-C4' energy: -63.266
flat angles C4'-P-C4' energy: -64.146
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -20.292
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: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1661.129633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.129633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.129633 (E_RNA)
where:
Base-Base interactions energy: -1145.542
where: short stacking energy: -516.422
Base-Backbone interact. energy: -2.064
local terms energy: -513.523614
where:
bonds (distance) C4'-P energy: -100.306
bonds (distance) P-C4' energy: -95.059
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -67.194
tors. eta vs tors. theta energy: -141.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1585.165772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.165772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.165772 (E_RNA)
where:
Base-Base interactions energy: -1101.608
where: short stacking energy: -504.093
Base-Backbone interact. energy: 5.627
local terms energy: -489.184929
where:
bonds (distance) C4'-P energy: -82.877
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -102.748
flat angles P-C4'-P energy: -72.613
tors. eta vs tors. theta energy: -137.465
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: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1571.642071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.642071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.642071 (E_RNA)
where:
Base-Base interactions energy: -1099.008
where: short stacking energy: -459.805
Base-Backbone interact. energy: -2.849
local terms energy: -469.785222
where:
bonds (distance) C4'-P energy: -87.705
bonds (distance) P-C4' energy: -82.733
flat angles C4'-P-C4' energy: -104.861
flat angles P-C4'-P energy: -66.170
tors. eta vs tors. theta energy: -128.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1470.724543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.724543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.724543 (E_RNA)
where:
Base-Base interactions energy: -1009.565
where: short stacking energy: -459.125
Base-Backbone interact. energy: -1.160
local terms energy: -459.999693
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -86.955
flat angles C4'-P-C4' energy: -90.428
flat angles P-C4'-P energy: -75.219
tors. eta vs tors. theta energy: -121.439
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: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1376.417081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.417081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.417081 (E_RNA)
where:
Base-Base interactions energy: -946.551
where: short stacking energy: -420.822
Base-Backbone interact. energy: -1.622
local terms energy: -428.244216
where:
bonds (distance) C4'-P energy: -67.377
bonds (distance) P-C4' energy: -82.160
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -65.315
tors. eta vs tors. theta energy: -114.383
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: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1178.389412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.389412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.389412 (E_RNA)
where:
Base-Base interactions energy: -794.557
where: short stacking energy: -329.421
Base-Backbone interact. energy: -1.709
local terms energy: -382.123550
where:
bonds (distance) C4'-P energy: -68.945
bonds (distance) P-C4' energy: -80.421
flat angles C4'-P-C4' energy: -82.477
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -87.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1015.077556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.077556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.077556 (E_RNA)
where:
Base-Base interactions energy: -668.270
where: short stacking energy: -287.604
Base-Backbone interact. energy: -1.680
local terms energy: -345.127050
where:
bonds (distance) C4'-P energy: -76.430
bonds (distance) P-C4' energy: -79.605
flat angles C4'-P-C4' energy: -78.982
flat angles P-C4'-P energy: -50.712
tors. eta vs tors. theta energy: -59.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -879.173338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.173338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.173338 (E_RNA)
where:
Base-Base interactions energy: -534.883
where: short stacking energy: -282.464
Base-Backbone interact. energy: -1.386
local terms energy: -342.904252
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -66.059
flat angles C4'-P-C4' energy: -74.870
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -63.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -932.458836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.458836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.458836 (E_RNA)
where:
Base-Base interactions energy: -610.585
where: short stacking energy: -273.522
Base-Backbone interact. energy: -1.080
local terms energy: -320.793356
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -50.711
tors. eta vs tors. theta energy: -58.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -604.566024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.566024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.566024 (E_RNA)
where:
Base-Base interactions energy: -328.273
where: short stacking energy: -186.244
Base-Backbone interact. energy: 0.708
local terms energy: -277.000989
where:
bonds (distance) C4'-P energy: -66.485
bonds (distance) P-C4' energy: -84.543
flat angles C4'-P-C4' energy: -82.383
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1656.976040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.976040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.976040 (E_RNA)
where:
Base-Base interactions energy: -1134.221
where: short stacking energy: -518.179
Base-Backbone interact. energy: 0.541
local terms energy: -523.296159
where:
bonds (distance) C4'-P energy: -89.343
bonds (distance) P-C4' energy: -96.978
flat angles C4'-P-C4' energy: -112.771
flat angles P-C4'-P energy: -76.838
tors. eta vs tors. theta energy: -147.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1585.839295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.839295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.839295 (E_RNA)
where:
Base-Base interactions energy: -1090.993
where: short stacking energy: -486.385
Base-Backbone interact. energy: -2.714
local terms energy: -492.132112
where:
bonds (distance) C4'-P energy: -80.951
bonds (distance) P-C4' energy: -90.323
flat angles C4'-P-C4' energy: -104.351
flat angles P-C4'-P energy: -68.977
tors. eta vs tors. theta energy: -147.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1569.478204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.478204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.478204 (E_RNA)
where:
Base-Base interactions energy: -1122.732
where: short stacking energy: -455.156
Base-Backbone interact. energy: -3.615
local terms energy: -443.131189
where:
bonds (distance) C4'-P energy: -88.431
bonds (distance) P-C4' energy: -87.394
flat angles C4'-P-C4' energy: -96.684
flat angles P-C4'-P energy: -55.607
tors. eta vs tors. theta energy: -115.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1443.230193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.230193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.230193 (E_RNA)
where:
Base-Base interactions energy: -985.675
where: short stacking energy: -445.356
Base-Backbone interact. energy: 0.134
local terms energy: -457.689297
where:
bonds (distance) C4'-P energy: -85.727
bonds (distance) P-C4' energy: -99.663
flat angles C4'-P-C4' energy: -90.859
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -112.615
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1394.630020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.630020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.630020 (E_RNA)
where:
Base-Base interactions energy: -948.325
where: short stacking energy: -428.442
Base-Backbone interact. energy: -0.534
local terms energy: -445.770462
where:
bonds (distance) C4'-P energy: -67.071
bonds (distance) P-C4' energy: -80.922
flat angles C4'-P-C4' energy: -94.282
flat angles P-C4'-P energy: -73.245
tors. eta vs tors. theta energy: -130.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1221.797999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.797999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.797999 (E_RNA)
where:
Base-Base interactions energy: -855.125
where: short stacking energy: -359.939
Base-Backbone interact. energy: -1.304
local terms energy: -365.369950
where:
bonds (distance) C4'-P energy: -77.125
bonds (distance) P-C4' energy: -71.142
flat angles C4'-P-C4' energy: -86.000
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -81.146
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: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1038.127405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.127405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.127405 (E_RNA)
where:
Base-Base interactions energy: -706.558
where: short stacking energy: -311.324
Base-Backbone interact. energy: -0.756
local terms energy: -330.813467
where:
bonds (distance) C4'-P energy: -71.610
bonds (distance) P-C4' energy: -75.547
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -68.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -937.265215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.265215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.265215 (E_RNA)
where:
Base-Base interactions energy: -609.485
where: short stacking energy: -266.801
Base-Backbone interact. energy: -0.519
local terms energy: -327.261133
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -83.430
flat angles C4'-P-C4' energy: -70.961
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -51.979
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: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -857.280495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.280495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.280495 (E_RNA)
where:
Base-Base interactions energy: -534.043
where: short stacking energy: -274.399
Base-Backbone interact. energy: -0.464
local terms energy: -322.772667
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -73.747
flat angles C4'-P-C4' energy: -82.753
flat angles P-C4'-P energy: -42.254
tors. eta vs tors. theta energy: -56.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -628.961395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.961395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.961395 (E_RNA)
where:
Base-Base interactions energy: -349.279
where: short stacking energy: -202.389
Base-Backbone interact. energy: -2.008
local terms energy: -277.674525
where:
bonds (distance) C4'-P energy: -72.252
bonds (distance) P-C4' energy: -70.114
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1648.964159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.964159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.964159 (E_RNA)
where:
Base-Base interactions energy: -1160.535
where: short stacking energy: -529.491
Base-Backbone interact. energy: -1.293
local terms energy: -487.136009
where:
bonds (distance) C4'-P energy: -77.622
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -99.662
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -143.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1597.904846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.904846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.904846 (E_RNA)
where:
Base-Base interactions energy: -1107.796
where: short stacking energy: -486.452
Base-Backbone interact. energy: -2.542
local terms energy: -487.567337
where:
bonds (distance) C4'-P energy: -86.919
bonds (distance) P-C4' energy: -93.588
flat angles C4'-P-C4' energy: -100.603
flat angles P-C4'-P energy: -69.466
tors. eta vs tors. theta energy: -136.991
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: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1570.743255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.743255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.743255 (E_RNA)
where:
Base-Base interactions energy: -1100.203
where: short stacking energy: -465.086
Base-Backbone interact. energy: -1.249
local terms energy: -469.290587
where:
bonds (distance) C4'-P energy: -86.222
bonds (distance) P-C4' energy: -98.864
flat angles C4'-P-C4' energy: -99.254
flat angles P-C4'-P energy: -64.394
tors. eta vs tors. theta energy: -120.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1428.448116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.448116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.448116 (E_RNA)
where:
Base-Base interactions energy: -979.077
where: short stacking energy: -424.072
Base-Backbone interact. energy: 0.493
local terms energy: -449.863559
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -93.891
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -114.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1333.333734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.333734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.333734 (E_RNA)
where:
Base-Base interactions energy: -892.417
where: short stacking energy: -421.316
Base-Backbone interact. energy: -3.180
local terms energy: -437.736237
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -102.527
flat angles P-C4'-P energy: -64.316
tors. eta vs tors. theta energy: -119.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1208.010086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.010086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.010086 (E_RNA)
where:
Base-Base interactions energy: -809.876
where: short stacking energy: -377.129
Base-Backbone interact. energy: -0.763
local terms energy: -397.371387
where:
bonds (distance) C4'-P energy: -76.389
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -85.338
flat angles P-C4'-P energy: -58.547
tors. eta vs tors. theta energy: -106.093
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: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1039.636837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.636837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.636837 (E_RNA)
where:
Base-Base interactions energy: -704.841
where: short stacking energy: -318.986
Base-Backbone interact. energy: -1.232
local terms energy: -333.563477
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -80.530
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -65.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -935.346298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.346298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.346298 (E_RNA)
where:
Base-Base interactions energy: -613.752
where: short stacking energy: -275.651
Base-Backbone interact. energy: -1.616
local terms energy: -319.978077
where:
bonds (distance) C4'-P energy: -74.600
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -76.554
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -52.837
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: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -797.377562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.377562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.377562 (E_RNA)
where:
Base-Base interactions energy: -501.188
where: short stacking energy: -252.815
Base-Backbone interact. energy: -1.746
local terms energy: -294.443435
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -84.423
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -35.708
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: 200
Temperature: 1.350000
Total energy: -609.442460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.442460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.442460 (E_RNA)
where:
Base-Base interactions energy: -345.326
where: short stacking energy: -178.514
Base-Backbone interact. energy: -0.386
local terms energy: -263.730876
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -61.696
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1658.314435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.314435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.314435 (E_RNA)
where:
Base-Base interactions energy: -1141.690
where: short stacking energy: -499.998
Base-Backbone interact. energy: -1.488
local terms energy: -515.136446
where:
bonds (distance) C4'-P energy: -89.809
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -107.743
flat angles P-C4'-P energy: -78.161
tors. eta vs tors. theta energy: -146.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1570.740915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.740915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.740915 (E_RNA)
where:
Base-Base interactions energy: -1103.703
where: short stacking energy: -460.725
Base-Backbone interact. energy: -2.782
local terms energy: -464.256079
where:
bonds (distance) C4'-P energy: -77.830
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -98.491
flat angles P-C4'-P energy: -75.271
tors. eta vs tors. theta energy: -120.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1579.258896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.258896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.258896 (E_RNA)
where:
Base-Base interactions energy: -1095.785
where: short stacking energy: -497.448
Base-Backbone interact. energy: -1.732
local terms energy: -481.742237
where:
bonds (distance) C4'-P energy: -95.123
bonds (distance) P-C4' energy: -87.890
flat angles C4'-P-C4' energy: -100.423
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -137.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1435.245253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.245253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.245253 (E_RNA)
where:
Base-Base interactions energy: -1007.448
where: short stacking energy: -431.765
Base-Backbone interact. energy: -3.046
local terms energy: -424.751366
where:
bonds (distance) C4'-P energy: -72.570
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -91.174
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -124.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1329.196085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.196085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.196085 (E_RNA)
where:
Base-Base interactions energy: -908.908
where: short stacking energy: -420.563
Base-Backbone interact. energy: -0.665
local terms energy: -419.623615
where:
bonds (distance) C4'-P energy: -72.067
bonds (distance) P-C4' energy: -91.203
flat angles C4'-P-C4' energy: -88.966
flat angles P-C4'-P energy: -53.767
tors. eta vs tors. theta energy: -113.621
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: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1224.361507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.361507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.361507 (E_RNA)
where:
Base-Base interactions energy: -830.804
where: short stacking energy: -376.246
Base-Backbone interact. energy: -3.210
local terms energy: -390.346721
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -82.115
flat angles P-C4'-P energy: -56.284
tors. eta vs tors. theta energy: -109.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1068.536961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.536961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.536961 (E_RNA)
where:
Base-Base interactions energy: -743.217
where: short stacking energy: -325.698
Base-Backbone interact. energy: 2.234
local terms energy: -327.553922
where:
bonds (distance) C4'-P energy: -71.504
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -68.094
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: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -929.021993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.021993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.021993 (E_RNA)
where:
Base-Base interactions energy: -589.532
where: short stacking energy: -263.361
Base-Backbone interact. energy: -1.695
local terms energy: -337.794969
where:
bonds (distance) C4'-P energy: -80.569
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: -45.582
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -796.713604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.713604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.713604 (E_RNA)
where:
Base-Base interactions energy: -471.266
where: short stacking energy: -233.584
Base-Backbone interact. energy: -0.966
local terms energy: -324.480952
where:
bonds (distance) C4'-P energy: -80.202
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -73.872
flat angles P-C4'-P energy: -39.911
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -635.431512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.431512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.431512 (E_RNA)
where:
Base-Base interactions energy: -352.806
where: short stacking energy: -189.393
Base-Backbone interact. energy: 2.227
local terms energy: -284.852746
where:
bonds (distance) C4'-P energy: -84.809
bonds (distance) P-C4' energy: -74.656
flat angles C4'-P-C4' energy: -75.366
flat angles P-C4'-P energy: -41.776
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1660.304952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.304952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.304952 (E_RNA)
where:
Base-Base interactions energy: -1162.826
where: short stacking energy: -521.480
Base-Backbone interact. energy: -1.072
local terms energy: -496.407387
where:
bonds (distance) C4'-P energy: -86.836
bonds (distance) P-C4' energy: -84.592
flat angles C4'-P-C4' energy: -108.354
flat angles P-C4'-P energy: -65.189
tors. eta vs tors. theta energy: -151.437
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: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1572.272323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.272323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.272323 (E_RNA)
where:
Base-Base interactions energy: -1109.616
where: short stacking energy: -459.083
Base-Backbone interact. energy: -5.527
local terms energy: -457.129762
where:
bonds (distance) C4'-P energy: -87.823
bonds (distance) P-C4' energy: -71.757
flat angles C4'-P-C4' energy: -100.673
flat angles P-C4'-P energy: -72.624
tors. eta vs tors. theta energy: -124.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1559.947568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.947568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.947568 (E_RNA)
where:
Base-Base interactions energy: -1085.246
where: short stacking energy: -469.209
Base-Backbone interact. energy: -0.926
local terms energy: -473.776067
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -82.770
flat angles C4'-P-C4' energy: -97.469
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: -136.909
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: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1459.417800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.417800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.417800 (E_RNA)
where:
Base-Base interactions energy: -1020.814
where: short stacking energy: -462.170
Base-Backbone interact. energy: 1.389
local terms energy: -439.992697
where:
bonds (distance) C4'-P energy: -67.981
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -95.576
flat angles P-C4'-P energy: -67.231
tors. eta vs tors. theta energy: -128.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1343.708230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.708230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.708230 (E_RNA)
where:
Base-Base interactions energy: -930.870
where: short stacking energy: -437.137
Base-Backbone interact. energy: -3.100
local terms energy: -409.738493
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -73.612
flat angles C4'-P-C4' energy: -98.034
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -120.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1190.034466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.034466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.034466 (E_RNA)
where:
Base-Base interactions energy: -785.124
where: short stacking energy: -359.265
Base-Backbone interact. energy: -2.448
local terms energy: -402.461744
where:
bonds (distance) C4'-P energy: -79.036
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -79.873
flat angles P-C4'-P energy: -60.678
tors. eta vs tors. theta energy: -89.101
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: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1098.623370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.623370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.623370 (E_RNA)
where:
Base-Base interactions energy: -714.464
where: short stacking energy: -330.047
Base-Backbone interact. energy: 1.029
local terms energy: -385.188561
where:
bonds (distance) C4'-P energy: -93.739
bonds (distance) P-C4' energy: -78.545
flat angles C4'-P-C4' energy: -85.980
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -68.198
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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -938.118675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.118675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.118675 (E_RNA)
where:
Base-Base interactions energy: -620.552
where: short stacking energy: -278.726
Base-Backbone interact. energy: 0.351
local terms energy: -317.917862
where:
bonds (distance) C4'-P energy: -64.176
bonds (distance) P-C4' energy: -72.904
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -57.165
tors. eta vs tors. theta energy: -51.323
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: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -813.228952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.228952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.228952 (E_RNA)
where:
Base-Base interactions energy: -499.051
where: short stacking energy: -252.704
Base-Backbone interact. energy: -0.743
local terms energy: -313.434727
where:
bonds (distance) C4'-P energy: -81.002
bonds (distance) P-C4' energy: -81.217
flat angles C4'-P-C4' energy: -65.923
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -40.950
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: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -578.190901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.190901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.190901 (E_RNA)
where:
Base-Base interactions energy: -313.896
where: short stacking energy: -167.318
Base-Backbone interact. energy: -0.599
local terms energy: -263.695498
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1649.766577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.766577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.766577 (E_RNA)
where:
Base-Base interactions energy: -1141.246
where: short stacking energy: -506.718
Base-Backbone interact. energy: -3.000
local terms energy: -505.520328
where:
bonds (distance) C4'-P energy: -85.240
bonds (distance) P-C4' energy: -101.619
flat angles C4'-P-C4' energy: -104.343
flat angles P-C4'-P energy: -71.349
tors. eta vs tors. theta energy: -142.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1571.868107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.868107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.868107 (E_RNA)
where:
Base-Base interactions energy: -1092.227
where: short stacking energy: -449.765
Base-Backbone interact. energy: -0.885
local terms energy: -478.756309
where:
bonds (distance) C4'-P energy: -96.344
bonds (distance) P-C4' energy: -83.752
flat angles C4'-P-C4' energy: -100.991
flat angles P-C4'-P energy: -79.723
tors. eta vs tors. theta energy: -117.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1531.177358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.177358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.177358 (E_RNA)
where:
Base-Base interactions energy: -1036.926
where: short stacking energy: -471.588
Base-Backbone interact. energy: -2.172
local terms energy: -492.079607
where:
bonds (distance) C4'-P energy: -82.602
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -106.969
flat angles P-C4'-P energy: -73.058
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: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1453.225602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.225602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.225602 (E_RNA)
where:
Base-Base interactions energy: -996.003
where: short stacking energy: -447.357
Base-Backbone interact. energy: -1.297
local terms energy: -455.925341
where:
bonds (distance) C4'-P energy: -81.572
bonds (distance) P-C4' energy: -91.199
flat angles C4'-P-C4' energy: -103.129
flat angles P-C4'-P energy: -64.548
tors. eta vs tors. theta energy: -115.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1318.385513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.385513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.385513 (E_RNA)
where:
Base-Base interactions energy: -916.598
where: short stacking energy: -411.207
Base-Backbone interact. energy: -2.288
local terms energy: -399.499296
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -84.652
flat angles C4'-P-C4' energy: -81.401
flat angles P-C4'-P energy: -55.299
tors. eta vs tors. theta energy: -110.685
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: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1212.209050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.209050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.209050 (E_RNA)
where:
Base-Base interactions energy: -855.604
where: short stacking energy: -373.840
Base-Backbone interact. energy: -1.565
local terms energy: -355.040014
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -64.456
flat angles C4'-P-C4' energy: -77.061
flat angles P-C4'-P energy: -58.052
tors. eta vs tors. theta energy: -91.331
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1082.154303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.154303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.154303 (E_RNA)
where:
Base-Base interactions energy: -737.964
where: short stacking energy: -313.842
Base-Backbone interact. energy: 0.370
local terms energy: -344.560376
where:
bonds (distance) C4'-P energy: -71.562
bonds (distance) P-C4' energy: -67.361
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -57.615
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: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -962.683521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.683521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.683521 (E_RNA)
where:
Base-Base interactions energy: -621.634
where: short stacking energy: -264.427
Base-Backbone interact. energy: -1.652
local terms energy: -339.397377
where:
bonds (distance) C4'-P energy: -72.068
bonds (distance) P-C4' energy: -89.295
flat angles C4'-P-C4' energy: -95.465
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -809.867072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.867072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.867072 (E_RNA)
where:
Base-Base interactions energy: -500.771
where: short stacking energy: -227.140
Base-Backbone interact. energy: 5.706
local terms energy: -314.802012
where:
bonds (distance) C4'-P energy: -70.211
bonds (distance) P-C4' energy: -80.786
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -53.270
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -653.515617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.515617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.515617 (E_RNA)
where:
Base-Base interactions energy: -375.460
where: short stacking energy: -183.432
Base-Backbone interact. energy: 5.628
local terms energy: -283.683675
where:
bonds (distance) C4'-P energy: -65.089
bonds (distance) P-C4' energy: -88.891
flat angles C4'-P-C4' energy: -70.073
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1653.500089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.500089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.500089 (E_RNA)
where:
Base-Base interactions energy: -1157.949
where: short stacking energy: -515.268
Base-Backbone interact. energy: -1.889
local terms energy: -493.662273
where:
bonds (distance) C4'-P energy: -74.388
bonds (distance) P-C4' energy: -98.018
flat angles C4'-P-C4' energy: -108.847
flat angles P-C4'-P energy: -72.206
tors. eta vs tors. theta energy: -140.203
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: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1553.838143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.838143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.838143 (E_RNA)
where:
Base-Base interactions energy: -1097.118
where: short stacking energy: -441.575
Base-Backbone interact. energy: -1.286
local terms energy: -455.434577
where:
bonds (distance) C4'-P energy: -84.380
bonds (distance) P-C4' energy: -94.715
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -118.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1552.979043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.979043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.979043 (E_RNA)
where:
Base-Base interactions energy: -1060.402
where: short stacking energy: -478.365
Base-Backbone interact. energy: -3.771
local terms energy: -488.805407
where:
bonds (distance) C4'-P energy: -96.963
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -98.633
flat angles P-C4'-P energy: -69.107
tors. eta vs tors. theta energy: -134.221
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: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1451.350889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.350889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.350889 (E_RNA)
where:
Base-Base interactions energy: -995.838
where: short stacking energy: -428.929
Base-Backbone interact. energy: 0.128
local terms energy: -455.640794
where:
bonds (distance) C4'-P energy: -89.682
bonds (distance) P-C4' energy: -85.852
flat angles C4'-P-C4' energy: -91.964
flat angles P-C4'-P energy: -58.454
tors. eta vs tors. theta energy: -129.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1348.807628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.807628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.807628 (E_RNA)
where:
Base-Base interactions energy: -907.567
where: short stacking energy: -421.357
Base-Backbone interact. energy: -4.096
local terms energy: -437.144680
where:
bonds (distance) C4'-P energy: -80.569
bonds (distance) P-C4' energy: -74.917
flat angles C4'-P-C4' energy: -99.301
flat angles P-C4'-P energy: -56.214
tors. eta vs tors. theta energy: -126.143
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: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1202.519354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.519354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.519354 (E_RNA)
where:
Base-Base interactions energy: -809.783
where: short stacking energy: -365.239
Base-Backbone interact. energy: -2.363
local terms energy: -390.372941
where:
bonds (distance) C4'-P energy: -72.509
bonds (distance) P-C4' energy: -77.662
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -63.555
tors. eta vs tors. theta energy: -95.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1014.792353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.792353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.792353 (E_RNA)
where:
Base-Base interactions energy: -662.307
where: short stacking energy: -311.765
Base-Backbone interact. energy: -1.944
local terms energy: -350.542063
where:
bonds (distance) C4'-P energy: -71.334
bonds (distance) P-C4' energy: -76.891
flat angles C4'-P-C4' energy: -81.914
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1033.743087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.743087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.743087 (E_RNA)
where:
Base-Base interactions energy: -687.560
where: short stacking energy: -297.696
Base-Backbone interact. energy: -3.086
local terms energy: -343.097236
where:
bonds (distance) C4'-P energy: -72.547
bonds (distance) P-C4' energy: -79.065
flat angles C4'-P-C4' energy: -68.938
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -60.243
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: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -752.236656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.236656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.236656 (E_RNA)
where:
Base-Base interactions energy: -474.379
where: short stacking energy: -221.249
Base-Backbone interact. energy: 2.741
local terms energy: -280.598589
where:
bonds (distance) C4'-P energy: -63.847
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -80.079
flat angles P-C4'-P energy: -30.766
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -680.790565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.790565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.790565 (E_RNA)
where:
Base-Base interactions energy: -415.507
where: short stacking energy: -217.728
Base-Backbone interact. energy: -0.976
local terms energy: -264.307202
where:
bonds (distance) C4'-P energy: -66.255
bonds (distance) P-C4' energy: -64.051
flat angles C4'-P-C4' energy: -61.044
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1650.785559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.785559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.785559 (E_RNA)
where:
Base-Base interactions energy: -1133.442
where: short stacking energy: -511.466
Base-Backbone interact. energy: -1.882
local terms energy: -515.461688
where:
bonds (distance) C4'-P energy: -94.932
bonds (distance) P-C4' energy: -90.878
flat angles C4'-P-C4' energy: -111.259
flat angles P-C4'-P energy: -76.180
tors. eta vs tors. theta energy: -142.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1614.073713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.073713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.073713 (E_RNA)
where:
Base-Base interactions energy: -1116.932
where: short stacking energy: -499.550
Base-Backbone interact. energy: -2.343
local terms energy: -494.799147
where:
bonds (distance) C4'-P energy: -83.371
bonds (distance) P-C4' energy: -98.236
flat angles C4'-P-C4' energy: -108.215
flat angles P-C4'-P energy: -60.902
tors. eta vs tors. theta energy: -144.075
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: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1524.834101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.834101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.834101 (E_RNA)
where:
Base-Base interactions energy: -1070.290
where: short stacking energy: -453.605
Base-Backbone interact. energy: 3.242
local terms energy: -457.786887
where:
bonds (distance) C4'-P energy: -75.651
bonds (distance) P-C4' energy: -85.649
flat angles C4'-P-C4' energy: -105.204
flat angles P-C4'-P energy: -65.426
tors. eta vs tors. theta energy: -125.858
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: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1468.956459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.956459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.956459 (E_RNA)
where:
Base-Base interactions energy: -1008.036
where: short stacking energy: -440.887
Base-Backbone interact. energy: -3.490
local terms energy: -457.430471
where:
bonds (distance) C4'-P energy: -86.321
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -94.039
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: -122.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1350.406666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.406666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.406666 (E_RNA)
where:
Base-Base interactions energy: -915.477
where: short stacking energy: -413.881
Base-Backbone interact. energy: -3.779
local terms energy: -431.150646
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -101.210
flat angles P-C4'-P energy: -61.069
tors. eta vs tors. theta energy: -123.304
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: 205
Temperature: 1.150000
Total energy: -1248.055141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.055141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.055141 (E_RNA)
where:
Base-Base interactions energy: -846.099
where: short stacking energy: -367.298
Base-Backbone interact. energy: -2.789
local terms energy: -399.167375
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -94.013
flat angles P-C4'-P energy: -58.875
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: 205
Temperature: 1.200000
Total energy: -1084.247055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.247055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.247055 (E_RNA)
where:
Base-Base interactions energy: -709.530
where: short stacking energy: -324.554
Base-Backbone interact. energy: -1.590
local terms energy: -373.127289
where:
bonds (distance) C4'-P energy: -73.909
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -85.544
flat angles P-C4'-P energy: -61.717
tors. eta vs tors. theta energy: -82.268
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: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -993.598751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.598751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.598751 (E_RNA)
where:
Base-Base interactions energy: -673.111
where: short stacking energy: -281.526
Base-Backbone interact. energy: 1.053
local terms energy: -321.540601
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -87.902
flat angles C4'-P-C4' energy: -76.678
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -726.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.150460 (E_RNA)
where:
Base-Base interactions energy: -418.323
where: short stacking energy: -205.959
Base-Backbone interact. energy: -1.321
local terms energy: -306.506475
where:
bonds (distance) C4'-P energy: -70.698
bonds (distance) P-C4' energy: -84.580
flat angles C4'-P-C4' energy: -67.840
flat angles P-C4'-P energy: -54.565
tors. eta vs tors. theta energy: -28.824
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -670.429151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.429151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.429151 (E_RNA)
where:
Base-Base interactions energy: -385.504
where: short stacking energy: -182.368
Base-Backbone interact. energy: -2.697
local terms energy: -282.228178
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -83.380
flat angles C4'-P-C4' energy: -73.488
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1651.430947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.430947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.430947 (E_RNA)
where:
Base-Base interactions energy: -1144.634
where: short stacking energy: -488.193
Base-Backbone interact. energy: -1.449
local terms energy: -505.348736
where:
bonds (distance) C4'-P energy: -96.716
bonds (distance) P-C4' energy: -92.002
flat angles C4'-P-C4' energy: -101.084
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -144.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1615.363900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.363900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.363900 (E_RNA)
where:
Base-Base interactions energy: -1121.159
where: short stacking energy: -491.961
Base-Backbone interact. energy: -0.109
local terms energy: -494.095470
where:
bonds (distance) C4'-P energy: -81.147
bonds (distance) P-C4' energy: -91.167
flat angles C4'-P-C4' energy: -106.688
flat angles P-C4'-P energy: -74.874
tors. eta vs tors. theta energy: -140.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1536.493185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.493185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.493185 (E_RNA)
where:
Base-Base interactions energy: -1079.613
where: short stacking energy: -438.880
Base-Backbone interact. energy: -2.682
local terms energy: -454.198427
where:
bonds (distance) C4'-P energy: -96.219
bonds (distance) P-C4' energy: -80.812
flat angles C4'-P-C4' energy: -97.915
flat angles P-C4'-P energy: -59.202
tors. eta vs tors. theta energy: -120.051
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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1481.463846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.463846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.463846 (E_RNA)
where:
Base-Base interactions energy: -1020.907
where: short stacking energy: -465.056
Base-Backbone interact. energy: -1.863
local terms energy: -458.694691
where:
bonds (distance) C4'-P energy: -80.797
bonds (distance) P-C4' energy: -82.567
flat angles C4'-P-C4' energy: -108.222
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -124.408
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1323.742620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.742620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.742620 (E_RNA)
where:
Base-Base interactions energy: -896.171
where: short stacking energy: -415.542
Base-Backbone interact. energy: -3.464
local terms energy: -424.107695
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -83.887
flat angles P-C4'-P energy: -60.544
tors. eta vs tors. theta energy: -113.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1254.475342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.475342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.475342 (E_RNA)
where:
Base-Base interactions energy: -852.612
where: short stacking energy: -380.721
Base-Backbone interact. energy: 1.845
local terms energy: -403.708323
where:
bonds (distance) C4'-P energy: -81.725
bonds (distance) P-C4' energy: -80.227
flat angles C4'-P-C4' energy: -79.688
flat angles P-C4'-P energy: -58.136
tors. eta vs tors. theta energy: -103.933
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: 206
Temperature: 1.200000
Total energy: -1109.367097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.367097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.367097 (E_RNA)
where:
Base-Base interactions energy: -751.948
where: short stacking energy: -324.461
Base-Backbone interact. energy: -0.739
local terms energy: -356.680244
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -87.901
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -63.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1020.970090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.970090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.970090 (E_RNA)
where:
Base-Base interactions energy: -693.516
where: short stacking energy: -307.466
Base-Backbone interact. energy: -3.309
local terms energy: -324.144348
where:
bonds (distance) C4'-P energy: -63.196
bonds (distance) P-C4' energy: -89.153
flat angles C4'-P-C4' energy: -76.850
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -55.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -733.897357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.897357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.897357 (E_RNA)
where:
Base-Base interactions energy: -422.137
where: short stacking energy: -219.323
Base-Backbone interact. energy: 0.516
local terms energy: -312.276621
where:
bonds (distance) C4'-P energy: -74.686
bonds (distance) P-C4' energy: -84.600
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -53.745
tors. eta vs tors. theta energy: -25.010
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: 206
Temperature: 1.350000
Total energy: -609.019744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.019744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.019744 (E_RNA)
where:
Base-Base interactions energy: -349.633
where: short stacking energy: -170.560
Base-Backbone interact. energy: 1.991
local terms energy: -261.377774
where:
bonds (distance) C4'-P energy: -68.821
bonds (distance) P-C4' energy: -75.853
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -22.821
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: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1653.004271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.004271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.004271 (E_RNA)
where:
Base-Base interactions energy: -1158.470
where: short stacking energy: -504.023
Base-Backbone interact. energy: -4.633
local terms energy: -489.901247
where:
bonds (distance) C4'-P energy: -80.862
bonds (distance) P-C4' energy: -84.295
flat angles C4'-P-C4' energy: -109.378
flat angles P-C4'-P energy: -74.483
tors. eta vs tors. theta energy: -140.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1611.899488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.899488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.899488 (E_RNA)
where:
Base-Base interactions energy: -1102.948
where: short stacking energy: -479.782
Base-Backbone interact. energy: -2.631
local terms energy: -506.320634
where:
bonds (distance) C4'-P energy: -90.408
bonds (distance) P-C4' energy: -91.311
flat angles C4'-P-C4' energy: -113.800
flat angles P-C4'-P energy: -68.529
tors. eta vs tors. theta energy: -142.272
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: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1544.309601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.309601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.309601 (E_RNA)
where:
Base-Base interactions energy: -1082.300
where: short stacking energy: -412.547
Base-Backbone interact. energy: -0.460
local terms energy: -461.549208
where:
bonds (distance) C4'-P energy: -86.646
bonds (distance) P-C4' energy: -94.539
flat angles C4'-P-C4' energy: -101.276
flat angles P-C4'-P energy: -65.759
tors. eta vs tors. theta energy: -113.329
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: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1480.858599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.858599 (E_RNA)
where:
Base-Base interactions energy: -1027.155
where: short stacking energy: -432.571
Base-Backbone interact. energy: -2.299
local terms energy: -451.404579
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -85.307
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -66.963
tors. eta vs tors. theta energy: -123.220
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: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1320.398032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.398032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.398032 (E_RNA)
where:
Base-Base interactions energy: -879.794
where: short stacking energy: -393.167
Base-Backbone interact. energy: 0.010
local terms energy: -440.613416
where:
bonds (distance) C4'-P energy: -87.181
bonds (distance) P-C4' energy: -89.671
flat angles C4'-P-C4' energy: -96.798
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: -111.644
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: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1235.623409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.623409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.623409 (E_RNA)
where:
Base-Base interactions energy: -826.616
where: short stacking energy: -360.914
Base-Backbone interact. energy: -0.046
local terms energy: -408.960616
where:
bonds (distance) C4'-P energy: -70.811
bonds (distance) P-C4' energy: -93.636
flat angles C4'-P-C4' energy: -93.343
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -92.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1138.387847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.387847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.387847 (E_RNA)
where:
Base-Base interactions energy: -744.376
where: short stacking energy: -320.666
Base-Backbone interact. energy: -2.940
local terms energy: -391.071942
where:
bonds (distance) C4'-P energy: -81.039
bonds (distance) P-C4' energy: -75.294
flat angles C4'-P-C4' energy: -101.473
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -68.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1055.043316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.043316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.043316 (E_RNA)
where:
Base-Base interactions energy: -722.079
where: short stacking energy: -327.679
Base-Backbone interact. energy: -4.960
local terms energy: -328.003489
where:
bonds (distance) C4'-P energy: -60.373
bonds (distance) P-C4' energy: -74.770
flat angles C4'-P-C4' energy: -75.782
flat angles P-C4'-P energy: -50.147
tors. eta vs tors. theta energy: -66.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -737.595635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.595635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.595635 (E_RNA)
where:
Base-Base interactions energy: -441.421
where: short stacking energy: -230.522
Base-Backbone interact. energy: 0.378
local terms energy: -296.552964
where:
bonds (distance) C4'-P energy: -78.636
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -72.550
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -29.922
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -618.598021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.598021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.598021 (E_RNA)
where:
Base-Base interactions energy: -362.681
where: short stacking energy: -172.075
Base-Backbone interact. energy: -2.129
local terms energy: -253.787480
where:
bonds (distance) C4'-P energy: -69.014
bonds (distance) P-C4' energy: -77.594
flat angles C4'-P-C4' energy: -59.497
flat angles P-C4'-P energy: -37.195
tors. eta vs tors. theta energy: -10.488
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: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1647.721379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.721379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.721379 (E_RNA)
where:
Base-Base interactions energy: -1154.921
where: short stacking energy: -508.464
Base-Backbone interact. energy: -2.066
local terms energy: -490.734934
where:
bonds (distance) C4'-P energy: -81.566
bonds (distance) P-C4' energy: -85.545
flat angles C4'-P-C4' energy: -111.562
flat angles P-C4'-P energy: -73.086
tors. eta vs tors. theta energy: -138.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1606.096724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.096724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.096724 (E_RNA)
where:
Base-Base interactions energy: -1104.006
where: short stacking energy: -488.818
Base-Backbone interact. energy: -3.075
local terms energy: -499.016178
where:
bonds (distance) C4'-P energy: -103.327
bonds (distance) P-C4' energy: -92.916
flat angles C4'-P-C4' energy: -100.335
flat angles P-C4'-P energy: -62.852
tors. eta vs tors. theta energy: -139.587
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1519.542906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.542906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.542906 (E_RNA)
where:
Base-Base interactions energy: -1069.052
where: short stacking energy: -434.661
Base-Backbone interact. energy: -0.591
local terms energy: -449.900433
where:
bonds (distance) C4'-P energy: -87.325
bonds (distance) P-C4' energy: -91.099
flat angles C4'-P-C4' energy: -93.491
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -113.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1466.325309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.325309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.325309 (E_RNA)
where:
Base-Base interactions energy: -1015.279
where: short stacking energy: -464.557
Base-Backbone interact. energy: -1.177
local terms energy: -449.869651
where:
bonds (distance) C4'-P energy: -84.807
bonds (distance) P-C4' energy: -81.982
flat angles C4'-P-C4' energy: -91.730
flat angles P-C4'-P energy: -61.792
tors. eta vs tors. theta energy: -129.558
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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1333.554657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.554657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.554657 (E_RNA)
where:
Base-Base interactions energy: -875.391
where: short stacking energy: -399.628
Base-Backbone interact. energy: -5.446
local terms energy: -452.717163
where:
bonds (distance) C4'-P energy: -75.763
bonds (distance) P-C4' energy: -93.658
flat angles C4'-P-C4' energy: -101.744
flat angles P-C4'-P energy: -66.850
tors. eta vs tors. theta energy: -114.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1237.988462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.988462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.988462 (E_RNA)
where:
Base-Base interactions energy: -838.812
where: short stacking energy: -368.246
Base-Backbone interact. energy: 3.361
local terms energy: -402.536991
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -70.052
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -61.598
tors. eta vs tors. theta energy: -98.961
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: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1133.564081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.564081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.564081 (E_RNA)
where:
Base-Base interactions energy: -762.462
where: short stacking energy: -325.435
Base-Backbone interact. energy: -2.505
local terms energy: -368.597701
where:
bonds (distance) C4'-P energy: -67.949
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -92.024
flat angles P-C4'-P energy: -57.568
tors. eta vs tors. theta energy: -81.003
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: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1033.647270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.647270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.647270 (E_RNA)
where:
Base-Base interactions energy: -687.516
where: short stacking energy: -290.919
Base-Backbone interact. energy: 1.112
local terms energy: -347.243006
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -73.355
flat angles C4'-P-C4' energy: -93.351
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -69.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -756.418951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.418951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.418951 (E_RNA)
where:
Base-Base interactions energy: -424.697
where: short stacking energy: -227.767
Base-Backbone interact. energy: 0.200
local terms energy: -331.921940
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -88.938
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -49.538
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: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -674.433010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.433010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.433010 (E_RNA)
where:
Base-Base interactions energy: -381.083
where: short stacking energy: -199.272
Base-Backbone interact. energy: -0.570
local terms energy: -292.780075
where:
bonds (distance) C4'-P energy: -73.412
bonds (distance) P-C4' energy: -79.008
flat angles C4'-P-C4' energy: -88.046
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1638.551441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.551441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.551441 (E_RNA)
where:
Base-Base interactions energy: -1128.979
where: short stacking energy: -494.993
Base-Backbone interact. energy: -4.160
local terms energy: -505.412980
where:
bonds (distance) C4'-P energy: -95.598
bonds (distance) P-C4' energy: -93.384
flat angles C4'-P-C4' energy: -101.032
flat angles P-C4'-P energy: -78.090
tors. eta vs tors. theta energy: -137.308
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: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1598.642817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.642817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.642817 (E_RNA)
where:
Base-Base interactions energy: -1111.116
where: short stacking energy: -477.335
Base-Backbone interact. energy: 0.850
local terms energy: -488.376696
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -90.435
flat angles C4'-P-C4' energy: -102.597
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -133.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1522.884890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.884890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.884890 (E_RNA)
where:
Base-Base interactions energy: -1059.945
where: short stacking energy: -439.134
Base-Backbone interact. energy: -1.326
local terms energy: -461.614095
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -86.202
flat angles C4'-P-C4' energy: -85.674
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -123.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1445.548171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.548171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.548171 (E_RNA)
where:
Base-Base interactions energy: -1000.356
where: short stacking energy: -429.773
Base-Backbone interact. energy: -1.867
local terms energy: -443.324928
where:
bonds (distance) C4'-P energy: -74.491
bonds (distance) P-C4' energy: -88.048
flat angles C4'-P-C4' energy: -103.312
flat angles P-C4'-P energy: -58.185
tors. eta vs tors. theta energy: -119.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1321.179748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.179748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.179748 (E_RNA)
where:
Base-Base interactions energy: -891.017
where: short stacking energy: -401.969
Base-Backbone interact. energy: -1.701
local terms energy: -428.461436
where:
bonds (distance) C4'-P energy: -76.151
bonds (distance) P-C4' energy: -93.693
flat angles C4'-P-C4' energy: -89.749
flat angles P-C4'-P energy: -56.276
tors. eta vs tors. theta energy: -112.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1249.645469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.645469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.645469 (E_RNA)
where:
Base-Base interactions energy: -837.192
where: short stacking energy: -362.317
Base-Backbone interact. energy: -2.690
local terms energy: -409.763511
where:
bonds (distance) C4'-P energy: -87.371
bonds (distance) P-C4' energy: -71.427
flat angles C4'-P-C4' energy: -96.350
flat angles P-C4'-P energy: -66.357
tors. eta vs tors. theta energy: -88.259
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1156.303223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.303223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.303223 (E_RNA)
where:
Base-Base interactions energy: -794.489
where: short stacking energy: -319.799
Base-Backbone interact. energy: -1.609
local terms energy: -360.205392
where:
bonds (distance) C4'-P energy: -80.586
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -74.790
flat angles P-C4'-P energy: -53.126
tors. eta vs tors. theta energy: -73.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1075.291249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.291249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.291249 (E_RNA)
where:
Base-Base interactions energy: -713.253
where: short stacking energy: -332.728
Base-Backbone interact. energy: -4.205
local terms energy: -357.833933
where:
bonds (distance) C4'-P energy: -67.689
bonds (distance) P-C4' energy: -63.231
flat angles C4'-P-C4' energy: -88.649
flat angles P-C4'-P energy: -54.230
tors. eta vs tors. theta energy: -84.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -820.539213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.539213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.539213 (E_RNA)
where:
Base-Base interactions energy: -513.266
where: short stacking energy: -251.623
Base-Backbone interact. energy: -1.528
local terms energy: -305.744815
where:
bonds (distance) C4'-P energy: -61.987
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -77.605
flat angles P-C4'-P energy: -47.451
tors. eta vs tors. theta energy: -42.839
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -646.085221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.085221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.085221 (E_RNA)
where:
Base-Base interactions energy: -337.692
where: short stacking energy: -171.950
Base-Backbone interact. energy: -0.233
local terms energy: -308.160458
where:
bonds (distance) C4'-P energy: -85.444
bonds (distance) P-C4' energy: -81.078
flat angles C4'-P-C4' energy: -82.975
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -11.078
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: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1641.864777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.864777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.864777 (E_RNA)
where:
Base-Base interactions energy: -1157.201
where: short stacking energy: -504.487
Base-Backbone interact. energy: -6.822
local terms energy: -477.841197
where:
bonds (distance) C4'-P energy: -87.684
bonds (distance) P-C4' energy: -74.983
flat angles C4'-P-C4' energy: -105.224
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -135.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1620.654858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.654858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.654858 (E_RNA)
where:
Base-Base interactions energy: -1131.081
where: short stacking energy: -483.135
Base-Backbone interact. energy: -0.482
local terms energy: -489.091738
where:
bonds (distance) C4'-P energy: -86.211
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -102.615
flat angles P-C4'-P energy: -72.547
tors. eta vs tors. theta energy: -138.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1482.330443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.330443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.330443 (E_RNA)
where:
Base-Base interactions energy: -1068.606
where: short stacking energy: -436.559
Base-Backbone interact. energy: 4.990
local terms energy: -418.714503
where:
bonds (distance) C4'-P energy: -76.881
bonds (distance) P-C4' energy: -84.552
flat angles C4'-P-C4' energy: -96.839
flat angles P-C4'-P energy: -50.568
tors. eta vs tors. theta energy: -109.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1432.937175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.937175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.937175 (E_RNA)
where:
Base-Base interactions energy: -978.184
where: short stacking energy: -426.448
Base-Backbone interact. energy: -1.161
local terms energy: -453.592118
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -90.249
flat angles C4'-P-C4' energy: -94.926
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -114.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1342.543458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.543458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.543458 (E_RNA)
where:
Base-Base interactions energy: -890.807
where: short stacking energy: -413.106
Base-Backbone interact. energy: -1.906
local terms energy: -449.831257
where:
bonds (distance) C4'-P energy: -87.678
bonds (distance) P-C4' energy: -99.065
flat angles C4'-P-C4' energy: -91.989
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -119.910
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: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1298.010602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.010602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.010602 (E_RNA)
where:
Base-Base interactions energy: -883.831
where: short stacking energy: -387.733
Base-Backbone interact. energy: -0.052
local terms energy: -414.127364
where:
bonds (distance) C4'-P energy: -78.862
bonds (distance) P-C4' energy: -80.161
flat angles C4'-P-C4' energy: -89.753
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -110.332
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1138.146815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.146815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.146815 (E_RNA)
where:
Base-Base interactions energy: -759.463
where: short stacking energy: -318.903
Base-Backbone interact. energy: -1.335
local terms energy: -377.348341
where:
bonds (distance) C4'-P energy: -74.351
bonds (distance) P-C4' energy: -79.689
flat angles C4'-P-C4' energy: -79.975
flat angles P-C4'-P energy: -63.078
tors. eta vs tors. theta energy: -80.254
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: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1014.190170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.190170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.190170 (E_RNA)
where:
Base-Base interactions energy: -645.107
where: short stacking energy: -285.044
Base-Backbone interact. energy: 0.949
local terms energy: -370.032221
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -84.452
flat angles C4'-P-C4' energy: -98.779
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -64.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -615.823470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.823470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.823470 (E_RNA)
where:
Base-Base interactions energy: -338.899
where: short stacking energy: -176.880
Base-Backbone interact. energy: -0.978
local terms energy: -275.946142
where:
bonds (distance) C4'-P energy: -58.805
bonds (distance) P-C4' energy: -85.252
flat angles C4'-P-C4' energy: -63.574
flat angles P-C4'-P energy: -59.891
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -715.868067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.868067 (E_RNA)
where:
Base-Base interactions energy: -431.431
where: short stacking energy: -206.865
Base-Backbone interact. energy: 0.995
local terms energy: -285.431518
where:
bonds (distance) C4'-P energy: -52.337
bonds (distance) P-C4' energy: -79.102
flat angles C4'-P-C4' energy: -66.398
flat angles P-C4'-P energy: -60.486
tors. eta vs tors. theta energy: -27.107
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1623.549626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.549626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.549626 (E_RNA)
where:
Base-Base interactions energy: -1110.756
where: short stacking energy: -498.801
Base-Backbone interact. energy: -2.054
local terms energy: -510.739616
where:
bonds (distance) C4'-P energy: -89.475
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -111.768
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -145.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1623.418738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.418738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.418738 (E_RNA)
where:
Base-Base interactions energy: -1130.072
where: short stacking energy: -510.066
Base-Backbone interact. energy: -0.183
local terms energy: -493.163404
where:
bonds (distance) C4'-P energy: -87.522
bonds (distance) P-C4' energy: -89.440
flat angles C4'-P-C4' energy: -106.512
flat angles P-C4'-P energy: -69.874
tors. eta vs tors. theta energy: -139.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1539.282759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.282759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.282759 (E_RNA)
where:
Base-Base interactions energy: -1081.542
where: short stacking energy: -446.590
Base-Backbone interact. energy: -3.526
local terms energy: -454.214391
where:
bonds (distance) C4'-P energy: -77.263
bonds (distance) P-C4' energy: -93.035
flat angles C4'-P-C4' energy: -103.528
flat angles P-C4'-P energy: -69.284
tors. eta vs tors. theta energy: -111.104
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: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1445.680680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.680680 (E_RNA)
where:
Base-Base interactions energy: -1005.573
where: short stacking energy: -431.864
Base-Backbone interact. energy: 0.563
local terms energy: -440.670703
where:
bonds (distance) C4'-P energy: -88.430
bonds (distance) P-C4' energy: -83.185
flat angles C4'-P-C4' energy: -85.961
flat angles P-C4'-P energy: -65.329
tors. eta vs tors. theta energy: -117.765
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: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1298.196813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.196813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.196813 (E_RNA)
where:
Base-Base interactions energy: -878.147
where: short stacking energy: -398.990
Base-Backbone interact. energy: -2.000
local terms energy: -418.050484
where:
bonds (distance) C4'-P energy: -84.617
bonds (distance) P-C4' energy: -79.184
flat angles C4'-P-C4' energy: -101.601
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -101.635
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1317.931254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.931254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.931254 (E_RNA)
where:
Base-Base interactions energy: -886.482
where: short stacking energy: -398.640
Base-Backbone interact. energy: -3.873
local terms energy: -427.576979
where:
bonds (distance) C4'-P energy: -87.570
bonds (distance) P-C4' energy: -85.211
flat angles C4'-P-C4' energy: -93.492
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -103.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1076.440975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.440975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.440975 (E_RNA)
where:
Base-Base interactions energy: -753.415
where: short stacking energy: -306.049
Base-Backbone interact. energy: -1.287
local terms energy: -321.738504
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -59.578
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -53.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1039.755388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.755388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.755388 (E_RNA)
where:
Base-Base interactions energy: -698.363
where: short stacking energy: -300.324
Base-Backbone interact. energy: 2.541
local terms energy: -343.932641
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -76.469
flat angles C4'-P-C4' energy: -88.624
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -56.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -671.057026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.057026 (E_RNA)
where:
Base-Base interactions energy: -405.014
where: short stacking energy: -215.927
Base-Backbone interact. energy: 0.592
local terms energy: -266.634505
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -73.192
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -32.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -688.829764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.829764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.829764 (E_RNA)
where:
Base-Base interactions energy: -429.856
where: short stacking energy: -205.203
Base-Backbone interact. energy: -2.268
local terms energy: -256.706040
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -75.204
flat angles C4'-P-C4' energy: -65.240
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -21.429
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: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1636.307419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.307419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.307419 (E_RNA)
where:
Base-Base interactions energy: -1121.389
where: short stacking energy: -472.551
Base-Backbone interact. energy: -1.653
local terms energy: -513.264850
where:
bonds (distance) C4'-P energy: -90.492
bonds (distance) P-C4' energy: -96.816
flat angles C4'-P-C4' energy: -104.737
flat angles P-C4'-P energy: -77.208
tors. eta vs tors. theta energy: -144.012
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: 212
Temperature: 0.950000
Total energy: -1601.864315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.864315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.864315 (E_RNA)
where:
Base-Base interactions energy: -1110.715
where: short stacking energy: -488.040
Base-Backbone interact. energy: -2.153
local terms energy: -488.996636
where:
bonds (distance) C4'-P energy: -92.786
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -98.357
flat angles P-C4'-P energy: -74.584
tors. eta vs tors. theta energy: -143.179
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: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1536.069393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.069393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.069393 (E_RNA)
where:
Base-Base interactions energy: -1082.910
where: short stacking energy: -438.639
Base-Backbone interact. energy: -2.335
local terms energy: -450.824886
where:
bonds (distance) C4'-P energy: -79.690
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -106.071
flat angles P-C4'-P energy: -67.654
tors. eta vs tors. theta energy: -120.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1476.526897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.526897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.526897 (E_RNA)
where:
Base-Base interactions energy: -1028.739
where: short stacking energy: -443.440
Base-Backbone interact. energy: 1.086
local terms energy: -448.874076
where:
bonds (distance) C4'-P energy: -81.213
bonds (distance) P-C4' energy: -76.280
flat angles C4'-P-C4' energy: -105.191
flat angles P-C4'-P energy: -63.101
tors. eta vs tors. theta energy: -123.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1323.355920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.355920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.355920 (E_RNA)
where:
Base-Base interactions energy: -908.643
where: short stacking energy: -406.922
Base-Backbone interact. energy: -0.525
local terms energy: -414.187228
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -75.995
flat angles C4'-P-C4' energy: -95.526
flat angles P-C4'-P energy: -63.320
tors. eta vs tors. theta energy: -112.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1287.178489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.178489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.178489 (E_RNA)
where:
Base-Base interactions energy: -863.589
where: short stacking energy: -383.150
Base-Backbone interact. energy: -0.193
local terms energy: -423.396211
where:
bonds (distance) C4'-P energy: -77.193
bonds (distance) P-C4' energy: -78.287
flat angles C4'-P-C4' energy: -102.225
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -105.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1133.882341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.882341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.882341 (E_RNA)
where:
Base-Base interactions energy: -784.411
where: short stacking energy: -356.966
Base-Backbone interact. energy: 0.953
local terms energy: -350.424695
where:
bonds (distance) C4'-P energy: -57.094
bonds (distance) P-C4' energy: -76.012
flat angles C4'-P-C4' energy: -81.644
flat angles P-C4'-P energy: -60.893
tors. eta vs tors. theta energy: -74.781
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: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -986.324706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.324706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.324706 (E_RNA)
where:
Base-Base interactions energy: -669.397
where: short stacking energy: -290.836
Base-Backbone interact. energy: -2.622
local terms energy: -314.305887
where:
bonds (distance) C4'-P energy: -67.348
bonds (distance) P-C4' energy: -85.080
flat angles C4'-P-C4' energy: -72.926
flat angles P-C4'-P energy: -43.849
tors. eta vs tors. theta energy: -45.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -748.887538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.887538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.887538 (E_RNA)
where:
Base-Base interactions energy: -443.325
where: short stacking energy: -212.449
Base-Backbone interact. energy: -1.028
local terms energy: -304.534356
where:
bonds (distance) C4'-P energy: -79.317
bonds (distance) P-C4' energy: -73.647
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -38.998
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -631.565479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.565479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.565479 (E_RNA)
where:
Base-Base interactions energy: -359.152
where: short stacking energy: -189.343
Base-Backbone interact. energy: 0.852
local terms energy: -273.264971
where:
bonds (distance) C4'-P energy: -71.097
bonds (distance) P-C4' energy: -84.113
flat angles C4'-P-C4' energy: -67.018
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -12.684
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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1648.646829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.646829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.646829 (E_RNA)
where:
Base-Base interactions energy: -1133.717
where: short stacking energy: -505.431
Base-Backbone interact. energy: -2.987
local terms energy: -511.942939
where:
bonds (distance) C4'-P energy: -81.824
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -109.802
flat angles P-C4'-P energy: -76.519
tors. eta vs tors. theta energy: -142.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1600.792945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.792945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.792945 (E_RNA)
where:
Base-Base interactions energy: -1098.436
where: short stacking energy: -501.795
Base-Backbone interact. energy: 0.086
local terms energy: -502.442682
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -83.236
flat angles C4'-P-C4' energy: -101.522
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -149.993
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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1509.150526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.150526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.150526 (E_RNA)
where:
Base-Base interactions energy: -1078.928
where: short stacking energy: -433.356
Base-Backbone interact. energy: -3.391
local terms energy: -426.830928
where:
bonds (distance) C4'-P energy: -67.960
bonds (distance) P-C4' energy: -80.861
flat angles C4'-P-C4' energy: -99.442
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -109.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1440.967770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.967770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.967770 (E_RNA)
where:
Base-Base interactions energy: -1017.401
where: short stacking energy: -435.450
Base-Backbone interact. energy: 0.171
local terms energy: -423.738145
where:
bonds (distance) C4'-P energy: -74.438
bonds (distance) P-C4' energy: -85.867
flat angles C4'-P-C4' energy: -84.739
flat angles P-C4'-P energy: -61.647
tors. eta vs tors. theta energy: -117.047
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: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1318.077177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.077177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.077177 (E_RNA)
where:
Base-Base interactions energy: -873.323
where: short stacking energy: -391.699
Base-Backbone interact. energy: -1.709
local terms energy: -443.044934
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -78.898
flat angles C4'-P-C4' energy: -94.464
flat angles P-C4'-P energy: -68.603
tors. eta vs tors. theta energy: -110.255
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: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1278.953282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.953282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.953282 (E_RNA)
where:
Base-Base interactions energy: -874.968
where: short stacking energy: -394.149
Base-Backbone interact. energy: -1.308
local terms energy: -402.677591
where:
bonds (distance) C4'-P energy: -77.461
bonds (distance) P-C4' energy: -73.775
flat angles C4'-P-C4' energy: -102.437
flat angles P-C4'-P energy: -54.485
tors. eta vs tors. theta energy: -94.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1110.569500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.569500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.569500 (E_RNA)
where:
Base-Base interactions energy: -760.449
where: short stacking energy: -318.526
Base-Backbone interact. energy: -3.912
local terms energy: -346.209015
where:
bonds (distance) C4'-P energy: -65.671
bonds (distance) P-C4' energy: -81.050
flat angles C4'-P-C4' energy: -89.483
flat angles P-C4'-P energy: -44.305
tors. eta vs tors. theta energy: -65.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -966.248700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.248700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.248700 (E_RNA)
where:
Base-Base interactions energy: -630.415
where: short stacking energy: -278.403
Base-Backbone interact. energy: -2.385
local terms energy: -333.449490
where:
bonds (distance) C4'-P energy: -74.058
bonds (distance) P-C4' energy: -78.297
flat angles C4'-P-C4' energy: -74.686
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -58.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -705.058226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.058226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.058226 (E_RNA)
where:
Base-Base interactions energy: -421.270
where: short stacking energy: -219.850
Base-Backbone interact. energy: -0.153
local terms energy: -283.634696
where:
bonds (distance) C4'-P energy: -65.470
bonds (distance) P-C4' energy: -88.269
flat angles C4'-P-C4' energy: -66.719
flat angles P-C4'-P energy: -30.402
tors. eta vs tors. theta energy: -32.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -627.839833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.839833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.839833 (E_RNA)
where:
Base-Base interactions energy: -348.328
where: short stacking energy: -181.197
Base-Backbone interact. energy: -0.558
local terms energy: -278.953685
where:
bonds (distance) C4'-P energy: -74.029
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1643.117279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.117279 (E_RNA)
where:
Base-Base interactions energy: -1133.652
where: short stacking energy: -499.986
Base-Backbone interact. energy: -1.658
local terms energy: -507.806975
where:
bonds (distance) C4'-P energy: -83.665
bonds (distance) P-C4' energy: -97.422
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -69.618
tors. eta vs tors. theta energy: -146.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1625.252576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.252576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.252576 (E_RNA)
where:
Base-Base interactions energy: -1137.168
where: short stacking energy: -505.932
Base-Backbone interact. energy: -2.369
local terms energy: -485.715612
where:
bonds (distance) C4'-P energy: -85.743
bonds (distance) P-C4' energy: -84.120
flat angles C4'-P-C4' energy: -110.339
flat angles P-C4'-P energy: -62.882
tors. eta vs tors. theta energy: -142.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1545.886581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.886581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.886581 (E_RNA)
where:
Base-Base interactions energy: -1092.423
where: short stacking energy: -440.465
Base-Backbone interact. energy: -2.228
local terms energy: -451.235393
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -93.269
flat angles P-C4'-P energy: -74.154
tors. eta vs tors. theta energy: -108.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1460.668857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.668857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.668857 (E_RNA)
where:
Base-Base interactions energy: -1004.188
where: short stacking energy: -429.307
Base-Backbone interact. energy: -0.199
local terms energy: -456.282048
where:
bonds (distance) C4'-P energy: -93.178
bonds (distance) P-C4' energy: -75.317
flat angles C4'-P-C4' energy: -98.334
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -125.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1366.776105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.776105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.776105 (E_RNA)
where:
Base-Base interactions energy: -917.986
where: short stacking energy: -423.458
Base-Backbone interact. energy: -0.380
local terms energy: -448.409347
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -92.873
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -119.791
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: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1258.946435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.946435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.946435 (E_RNA)
where:
Base-Base interactions energy: -852.110
where: short stacking energy: -383.273
Base-Backbone interact. energy: 0.700
local terms energy: -407.537008
where:
bonds (distance) C4'-P energy: -74.967
bonds (distance) P-C4' energy: -83.901
flat angles C4'-P-C4' energy: -85.653
flat angles P-C4'-P energy: -60.752
tors. eta vs tors. theta energy: -102.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1055.463799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.463799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.463799 (E_RNA)
where:
Base-Base interactions energy: -705.165
where: short stacking energy: -286.613
Base-Backbone interact. energy: -2.071
local terms energy: -348.227533
where:
bonds (distance) C4'-P energy: -74.774
bonds (distance) P-C4' energy: -91.196
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -50.000
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: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1006.234706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.234706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.234706 (E_RNA)
where:
Base-Base interactions energy: -662.284
where: short stacking energy: -313.202
Base-Backbone interact. energy: -4.307
local terms energy: -339.643569
where:
bonds (distance) C4'-P energy: -72.749
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -81.533
flat angles P-C4'-P energy: -51.797
tors. eta vs tors. theta energy: -64.685
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: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -735.646385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.646385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.646385 (E_RNA)
where:
Base-Base interactions energy: -415.992
where: short stacking energy: -216.192
Base-Backbone interact. energy: -3.478
local terms energy: -316.176901
where:
bonds (distance) C4'-P energy: -84.686
bonds (distance) P-C4' energy: -70.896
flat angles C4'-P-C4' energy: -73.691
flat angles P-C4'-P energy: -59.483
tors. eta vs tors. theta energy: -27.420
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: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -634.537713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.537713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.537713 (E_RNA)
where:
Base-Base interactions energy: -348.748
where: short stacking energy: -185.574
Base-Backbone interact. energy: 1.094
local terms energy: -286.884008
where:
bonds (distance) C4'-P energy: -66.935
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -69.847
flat angles P-C4'-P energy: -54.861
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1653.393735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.393735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.393735 (E_RNA)
where:
Base-Base interactions energy: -1145.778
where: short stacking energy: -508.111
Base-Backbone interact. energy: -1.298
local terms energy: -506.317169
where:
bonds (distance) C4'-P energy: -83.551
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -108.083
flat angles P-C4'-P energy: -73.477
tors. eta vs tors. theta energy: -149.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1639.369610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.369610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.369610 (E_RNA)
where:
Base-Base interactions energy: -1133.835
where: short stacking energy: -506.222
Base-Backbone interact. energy: -3.454
local terms energy: -502.081281
where:
bonds (distance) C4'-P energy: -78.805
bonds (distance) P-C4' energy: -100.706
flat angles C4'-P-C4' energy: -108.946
flat angles P-C4'-P energy: -69.336
tors. eta vs tors. theta energy: -144.288
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: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1534.747655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.747655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.747655 (E_RNA)
where:
Base-Base interactions energy: -1096.111
where: short stacking energy: -433.928
Base-Backbone interact. energy: -1.056
local terms energy: -437.580965
where:
bonds (distance) C4'-P energy: -89.516
bonds (distance) P-C4' energy: -85.750
flat angles C4'-P-C4' energy: -93.468
flat angles P-C4'-P energy: -60.612
tors. eta vs tors. theta energy: -108.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1456.048584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.048584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.048584 (E_RNA)
where:
Base-Base interactions energy: -999.540
where: short stacking energy: -432.894
Base-Backbone interact. energy: -1.726
local terms energy: -454.782227
where:
bonds (distance) C4'-P energy: -87.318
bonds (distance) P-C4' energy: -90.395
flat angles C4'-P-C4' energy: -103.751
flat angles P-C4'-P energy: -54.701
tors. eta vs tors. theta energy: -118.618
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: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1379.194943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.194943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.194943 (E_RNA)
where:
Base-Base interactions energy: -930.591
where: short stacking energy: -456.431
Base-Backbone interact. energy: -0.124
local terms energy: -448.479832
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -81.379
flat angles C4'-P-C4' energy: -99.099
flat angles P-C4'-P energy: -66.084
tors. eta vs tors. theta energy: -115.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1250.916323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.916323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.916323 (E_RNA)
where:
Base-Base interactions energy: -832.989
where: short stacking energy: -377.329
Base-Backbone interact. energy: 2.336
local terms energy: -420.263626
where:
bonds (distance) C4'-P energy: -77.373
bonds (distance) P-C4' energy: -82.388
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -67.437
tors. eta vs tors. theta energy: -99.817
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: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1049.868806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.868806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.868806 (E_RNA)
where:
Base-Base interactions energy: -709.356
where: short stacking energy: -302.035
Base-Backbone interact. energy: -0.296
local terms energy: -340.217021
where:
bonds (distance) C4'-P energy: -90.690
bonds (distance) P-C4' energy: -71.054
flat angles C4'-P-C4' energy: -76.471
flat angles P-C4'-P energy: -50.001
tors. eta vs tors. theta energy: -52.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -967.809016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.809016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.809016 (E_RNA)
where:
Base-Base interactions energy: -645.952
where: short stacking energy: -307.182
Base-Backbone interact. energy: -1.314
local terms energy: -320.543192
where:
bonds (distance) C4'-P energy: -71.042
bonds (distance) P-C4' energy: -70.780
flat angles C4'-P-C4' energy: -86.180
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -60.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -719.974830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.974830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.974830 (E_RNA)
where:
Base-Base interactions energy: -405.667
where: short stacking energy: -234.343
Base-Backbone interact. energy: -1.004
local terms energy: -313.303522
where:
bonds (distance) C4'-P energy: -73.162
bonds (distance) P-C4' energy: -89.575
flat angles C4'-P-C4' energy: -76.952
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -651.298426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.298426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.298426 (E_RNA)
where:
Base-Base interactions energy: -356.710
where: short stacking energy: -184.283
Base-Backbone interact. energy: -0.302
local terms energy: -294.286573
where:
bonds (distance) C4'-P energy: -76.822
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -69.451
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1667.772371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.772371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.772371 (E_RNA)
where:
Base-Base interactions energy: -1140.672
where: short stacking energy: -503.348
Base-Backbone interact. energy: -2.072
local terms energy: -525.027885
where:
bonds (distance) C4'-P energy: -100.947
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -114.643
flat angles P-C4'-P energy: -66.497
tors. eta vs tors. theta energy: -143.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1590.132492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.132492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.132492 (E_RNA)
where:
Base-Base interactions energy: -1100.543
where: short stacking energy: -490.024
Base-Backbone interact. energy: -1.183
local terms energy: -488.406412
where:
bonds (distance) C4'-P energy: -82.975
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -149.565
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: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1533.547797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.547797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.547797 (E_RNA)
where:
Base-Base interactions energy: -1083.917
where: short stacking energy: -429.619
Base-Backbone interact. energy: -2.877
local terms energy: -446.753464
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -86.382
flat angles C4'-P-C4' energy: -96.493
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -109.552
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: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1412.391870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.391870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.391870 (E_RNA)
where:
Base-Base interactions energy: -984.157
where: short stacking energy: -424.964
Base-Backbone interact. energy: -0.615
local terms energy: -427.619889
where:
bonds (distance) C4'-P energy: -80.918
bonds (distance) P-C4' energy: -82.015
flat angles C4'-P-C4' energy: -90.236
flat angles P-C4'-P energy: -67.116
tors. eta vs tors. theta energy: -107.335
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: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1309.658433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.658433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.658433 (E_RNA)
where:
Base-Base interactions energy: -891.297
where: short stacking energy: -399.797
Base-Backbone interact. energy: 1.457
local terms energy: -419.818518
where:
bonds (distance) C4'-P energy: -72.131
bonds (distance) P-C4' energy: -89.164
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -62.487
tors. eta vs tors. theta energy: -102.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1276.794515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.794515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.794515 (E_RNA)
where:
Base-Base interactions energy: -897.488
where: short stacking energy: -393.672
Base-Backbone interact. energy: -1.311
local terms energy: -377.995688
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -76.705
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -105.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1072.642948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.642948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.642948 (E_RNA)
where:
Base-Base interactions energy: -714.248
where: short stacking energy: -303.886
Base-Backbone interact. energy: 0.242
local terms energy: -358.636826
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -77.241
flat angles C4'-P-C4' energy: -88.938
flat angles P-C4'-P energy: -50.191
tors. eta vs tors. theta energy: -63.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1061.436960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.436960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.436960 (E_RNA)
where:
Base-Base interactions energy: -707.777
where: short stacking energy: -301.951
Base-Backbone interact. energy: 0.172
local terms energy: -353.831913
where:
bonds (distance) C4'-P energy: -78.261
bonds (distance) P-C4' energy: -72.455
flat angles C4'-P-C4' energy: -88.129
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -69.636
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: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -744.736197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.736197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.736197 (E_RNA)
where:
Base-Base interactions energy: -465.780
where: short stacking energy: -230.080
Base-Backbone interact. energy: -1.181
local terms energy: -277.775698
where:
bonds (distance) C4'-P energy: -66.503
bonds (distance) P-C4' energy: -71.896
flat angles C4'-P-C4' energy: -72.379
flat angles P-C4'-P energy: -38.706
tors. eta vs tors. theta energy: -28.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -623.522610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.522610 (E_RNA)
where:
Base-Base interactions energy: -340.823
where: short stacking energy: -181.781
Base-Backbone interact. energy: -1.539
local terms energy: -281.160540
where:
bonds (distance) C4'-P energy: -70.379
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -76.201
flat angles P-C4'-P energy: -55.594
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1659.746045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.746045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.746045 (E_RNA)
where:
Base-Base interactions energy: -1142.134
where: short stacking energy: -512.854
Base-Backbone interact. energy: -4.810
local terms energy: -512.802063
where:
bonds (distance) C4'-P energy: -89.712
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -145.942
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: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1622.638298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.638298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.638298 (E_RNA)
where:
Base-Base interactions energy: -1155.175
where: short stacking energy: -455.395
Base-Backbone interact. energy: -3.471
local terms energy: -463.992474
where:
bonds (distance) C4'-P energy: -92.586
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -73.114
tors. eta vs tors. theta energy: -132.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1558.516353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.516353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.516353 (E_RNA)
where:
Base-Base interactions energy: -1055.429
where: short stacking energy: -480.934
Base-Backbone interact. energy: -0.962
local terms energy: -502.124910
where:
bonds (distance) C4'-P energy: -89.832
bonds (distance) P-C4' energy: -97.102
flat angles C4'-P-C4' energy: -100.709
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -138.663
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1384.538470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.538470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.538470 (E_RNA)
where:
Base-Base interactions energy: -956.634
where: short stacking energy: -418.002
Base-Backbone interact. energy: -3.573
local terms energy: -424.331118
where:
bonds (distance) C4'-P energy: -71.080
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -90.061
flat angles P-C4'-P energy: -54.490
tors. eta vs tors. theta energy: -114.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1309.082587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.082587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.082587 (E_RNA)
where:
Base-Base interactions energy: -915.599
where: short stacking energy: -395.581
Base-Backbone interact. energy: -1.375
local terms energy: -392.108385
where:
bonds (distance) C4'-P energy: -67.593
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -97.917
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -109.211
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: 217
Temperature: 1.150000
Total energy: -1287.704966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.704966 (E_RNA)
where:
Base-Base interactions energy: -885.698
where: short stacking energy: -392.606
Base-Backbone interact. energy: 1.468
local terms energy: -403.475075
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -83.293
flat angles C4'-P-C4' energy: -92.118
flat angles P-C4'-P energy: -53.049
tors. eta vs tors. theta energy: -106.155
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: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1065.754152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.754152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.754152 (E_RNA)
where:
Base-Base interactions energy: -701.844
where: short stacking energy: -323.290
Base-Backbone interact. energy: -3.191
local terms energy: -360.719107
where:
bonds (distance) C4'-P energy: -66.113
bonds (distance) P-C4' energy: -84.061
flat angles C4'-P-C4' energy: -88.895
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -62.467
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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -979.752599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.752599 (E_RNA)
where:
Base-Base interactions energy: -638.191
where: short stacking energy: -280.225
Base-Backbone interact. energy: 1.199
local terms energy: -342.761442
where:
bonds (distance) C4'-P energy: -72.127
bonds (distance) P-C4' energy: -74.835
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -39.442
tors. eta vs tors. theta energy: -59.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -715.698371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.698371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.698371 (E_RNA)
where:
Base-Base interactions energy: -420.478
where: short stacking energy: -226.959
Base-Backbone interact. energy: -0.472
local terms energy: -294.748594
where:
bonds (distance) C4'-P energy: -70.483
bonds (distance) P-C4' energy: -81.143
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -42.292
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -627.043894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.043894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.043894 (E_RNA)
where:
Base-Base interactions energy: -377.222
where: short stacking energy: -186.126
Base-Backbone interact. energy: 3.558
local terms energy: -253.380154
where:
bonds (distance) C4'-P energy: -79.528
bonds (distance) P-C4' energy: -79.827
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1639.432438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.432438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.432438 (E_RNA)
where:
Base-Base interactions energy: -1143.099
where: short stacking energy: -498.508
Base-Backbone interact. energy: -1.340
local terms energy: -494.993427
where:
bonds (distance) C4'-P energy: -86.380
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -107.127
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -134.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1594.970233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.970233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.970233 (E_RNA)
where:
Base-Base interactions energy: -1131.878
where: short stacking energy: -446.233
Base-Backbone interact. energy: 1.003
local terms energy: -464.095247
where:
bonds (distance) C4'-P energy: -78.909
bonds (distance) P-C4' energy: -91.832
flat angles C4'-P-C4' energy: -112.053
flat angles P-C4'-P energy: -64.382
tors. eta vs tors. theta energy: -116.919
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: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1550.247767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.247767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.247767 (E_RNA)
where:
Base-Base interactions energy: -1050.937
where: short stacking energy: -456.964
Base-Backbone interact. energy: -2.021
local terms energy: -497.289612
where:
bonds (distance) C4'-P energy: -92.808
bonds (distance) P-C4' energy: -94.408
flat angles C4'-P-C4' energy: -103.677
flat angles P-C4'-P energy: -71.742
tors. eta vs tors. theta energy: -134.654
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: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1440.798113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.798113 (E_RNA)
where:
Base-Base interactions energy: -998.142
where: short stacking energy: -419.801
Base-Backbone interact. energy: -0.406
local terms energy: -442.250460
where:
bonds (distance) C4'-P energy: -82.923
bonds (distance) P-C4' energy: -79.549
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -117.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1309.453230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.453230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.453230 (E_RNA)
where:
Base-Base interactions energy: -910.980
where: short stacking energy: -404.555
Base-Backbone interact. energy: 1.744
local terms energy: -400.216949
where:
bonds (distance) C4'-P energy: -87.238
bonds (distance) P-C4' energy: -69.365
flat angles C4'-P-C4' energy: -90.709
flat angles P-C4'-P energy: -48.220
tors. eta vs tors. theta energy: -104.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1241.847047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.847047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.847047 (E_RNA)
where:
Base-Base interactions energy: -853.557
where: short stacking energy: -376.492
Base-Backbone interact. energy: -0.529
local terms energy: -387.761075
where:
bonds (distance) C4'-P energy: -73.246
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -82.926
flat angles P-C4'-P energy: -59.356
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1042.014308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.014308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.014308 (E_RNA)
where:
Base-Base interactions energy: -674.964
where: short stacking energy: -293.012
Base-Backbone interact. energy: -2.098
local terms energy: -364.952830
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -77.517
flat angles C4'-P-C4' energy: -89.199
flat angles P-C4'-P energy: -59.834
tors. eta vs tors. theta energy: -57.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1016.050811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.050811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.050811 (E_RNA)
where:
Base-Base interactions energy: -699.364
where: short stacking energy: -276.989
Base-Backbone interact. energy: 3.417
local terms energy: -320.104387
where:
bonds (distance) C4'-P energy: -58.488
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -89.903
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -48.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -715.218961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.218961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.218961 (E_RNA)
where:
Base-Base interactions energy: -439.560
where: short stacking energy: -185.463
Base-Backbone interact. energy: -0.864
local terms energy: -274.794844
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -73.844
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -51.083
tors. eta vs tors. theta energy: -10.881
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -596.984339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.984339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.984339 (E_RNA)
where:
Base-Base interactions energy: -336.278
where: short stacking energy: -168.768
Base-Backbone interact. energy: -1.957
local terms energy: -258.750022
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -84.395
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1646.769238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.769238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.769238 (E_RNA)
where:
Base-Base interactions energy: -1116.822
where: short stacking energy: -494.559
Base-Backbone interact. energy: -1.227
local terms energy: -528.720667
where:
bonds (distance) C4'-P energy: -102.710
bonds (distance) P-C4' energy: -103.154
flat angles C4'-P-C4' energy: -107.090
flat angles P-C4'-P energy: -76.827
tors. eta vs tors. theta energy: -138.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1580.061879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.061879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.061879 (E_RNA)
where:
Base-Base interactions energy: -1079.400
where: short stacking energy: -434.840
Base-Backbone interact. energy: -2.074
local terms energy: -498.587620
where:
bonds (distance) C4'-P energy: -98.480
bonds (distance) P-C4' energy: -105.268
flat angles C4'-P-C4' energy: -105.849
flat angles P-C4'-P energy: -73.319
tors. eta vs tors. theta energy: -115.672
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1530.379583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.379583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.379583 (E_RNA)
where:
Base-Base interactions energy: -1049.434
where: short stacking energy: -452.216
Base-Backbone interact. energy: -2.431
local terms energy: -478.514542
where:
bonds (distance) C4'-P energy: -94.274
bonds (distance) P-C4' energy: -92.142
flat angles C4'-P-C4' energy: -98.459
flat angles P-C4'-P energy: -59.224
tors. eta vs tors. theta energy: -134.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1437.239321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.239321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.239321 (E_RNA)
where:
Base-Base interactions energy: -992.470
where: short stacking energy: -436.645
Base-Backbone interact. energy: -1.197
local terms energy: -443.572203
where:
bonds (distance) C4'-P energy: -88.818
bonds (distance) P-C4' energy: -78.631
flat angles C4'-P-C4' energy: -90.038
flat angles P-C4'-P energy: -68.242
tors. eta vs tors. theta energy: -117.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1288.637947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.637947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.637947 (E_RNA)
where:
Base-Base interactions energy: -882.813
where: short stacking energy: -375.706
Base-Backbone interact. energy: -0.241
local terms energy: -405.583917
where:
bonds (distance) C4'-P energy: -72.162
bonds (distance) P-C4' energy: -86.417
flat angles C4'-P-C4' energy: -90.689
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -94.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1236.833789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.833789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.833789 (E_RNA)
where:
Base-Base interactions energy: -819.533
where: short stacking energy: -343.022
Base-Backbone interact. energy: -0.819
local terms energy: -416.481040
where:
bonds (distance) C4'-P energy: -91.098
bonds (distance) P-C4' energy: -83.054
flat angles C4'-P-C4' energy: -84.645
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: -95.203
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1043.110765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.110765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.110765 (E_RNA)
where:
Base-Base interactions energy: -709.442
where: short stacking energy: -329.138
Base-Backbone interact. energy: -0.028
local terms energy: -333.641043
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -84.163
flat angles C4'-P-C4' energy: -80.940
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -70.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1050.601109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.601109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.601109 (E_RNA)
where:
Base-Base interactions energy: -721.241
where: short stacking energy: -293.070
Base-Backbone interact. energy: 4.241
local terms energy: -333.600648
where:
bonds (distance) C4'-P energy: -72.889
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -84.409
flat angles P-C4'-P energy: -55.587
tors. eta vs tors. theta energy: -47.151
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: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -760.076090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.076090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.076090 (E_RNA)
where:
Base-Base interactions energy: -477.399
where: short stacking energy: -230.451
Base-Backbone interact. energy: -2.166
local terms energy: -280.510422
where:
bonds (distance) C4'-P energy: -72.651
bonds (distance) P-C4' energy: -64.762
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -30.468
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -629.123450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.123450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.123450 (E_RNA)
where:
Base-Base interactions energy: -384.365
where: short stacking energy: -183.137
Base-Backbone interact. energy: -0.726
local terms energy: -244.032827
where:
bonds (distance) C4'-P energy: -76.167
bonds (distance) P-C4' energy: -76.925
flat angles C4'-P-C4' energy: -54.107
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -30.916
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: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1650.936510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.936510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.936510 (E_RNA)
where:
Base-Base interactions energy: -1131.901
where: short stacking energy: -510.912
Base-Backbone interact. energy: -1.908
local terms energy: -517.127468
where:
bonds (distance) C4'-P energy: -92.930
bonds (distance) P-C4' energy: -98.639
flat angles C4'-P-C4' energy: -114.894
flat angles P-C4'-P energy: -67.739
tors. eta vs tors. theta energy: -142.925
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: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1584.812717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.812717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.812717 (E_RNA)
where:
Base-Base interactions energy: -1120.891
where: short stacking energy: -460.177
Base-Backbone interact. energy: -3.154
local terms energy: -460.767356
where:
bonds (distance) C4'-P energy: -83.166
bonds (distance) P-C4' energy: -96.953
flat angles C4'-P-C4' energy: -94.298
flat angles P-C4'-P energy: -62.447
tors. eta vs tors. theta energy: -123.902
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1564.449466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.449466 (E_RNA)
where:
Base-Base interactions energy: -1061.450
where: short stacking energy: -475.242
Base-Backbone interact. energy: -1.678
local terms energy: -501.321195
where:
bonds (distance) C4'-P energy: -87.588
bonds (distance) P-C4' energy: -91.933
flat angles C4'-P-C4' energy: -110.040
flat angles P-C4'-P energy: -73.525
tors. eta vs tors. theta energy: -138.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1420.095762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.095762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.095762 (E_RNA)
where:
Base-Base interactions energy: -979.504
where: short stacking energy: -403.751
Base-Backbone interact. energy: -1.228
local terms energy: -439.363099
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -72.709
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -116.698
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1333.326008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.326008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.326008 (E_RNA)
where:
Base-Base interactions energy: -906.378
where: short stacking energy: -409.986
Base-Backbone interact. energy: -2.614
local terms energy: -424.333683
where:
bonds (distance) C4'-P energy: -73.960
bonds (distance) P-C4' energy: -87.263
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: -111.138
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: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1242.280715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.280715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.280715 (E_RNA)
where:
Base-Base interactions energy: -845.313
where: short stacking energy: -379.658
Base-Backbone interact. energy: -0.862
local terms energy: -396.105246
where:
bonds (distance) C4'-P energy: -63.927
bonds (distance) P-C4' energy: -75.713
flat angles C4'-P-C4' energy: -106.221
flat angles P-C4'-P energy: -61.741
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: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1023.869662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.869662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.869662 (E_RNA)
where:
Base-Base interactions energy: -669.746
where: short stacking energy: -312.396
Base-Backbone interact. energy: -3.298
local terms energy: -350.825407
where:
bonds (distance) C4'-P energy: -71.955
bonds (distance) P-C4' energy: -72.407
flat angles C4'-P-C4' energy: -81.485
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -61.686
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: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -986.141034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.141034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.141034 (E_RNA)
where:
Base-Base interactions energy: -643.786
where: short stacking energy: -294.578
Base-Backbone interact. energy: 0.767
local terms energy: -343.122726
where:
bonds (distance) C4'-P energy: -77.016
bonds (distance) P-C4' energy: -66.770
flat angles C4'-P-C4' energy: -90.488
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -768.830453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.830453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.830453 (E_RNA)
where:
Base-Base interactions energy: -463.208
where: short stacking energy: -246.186
Base-Backbone interact. energy: -2.979
local terms energy: -302.643469
where:
bonds (distance) C4'-P energy: -81.601
bonds (distance) P-C4' energy: -70.429
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -40.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -641.934296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.934296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.934296 (E_RNA)
where:
Base-Base interactions energy: -345.397
where: short stacking energy: -173.537
Base-Backbone interact. energy: -0.776
local terms energy: -295.761479
where:
bonds (distance) C4'-P energy: -81.419
bonds (distance) P-C4' energy: -72.300
flat angles C4'-P-C4' energy: -70.195
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1640.390211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.390211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.390211 (E_RNA)
where:
Base-Base interactions energy: -1130.991
where: short stacking energy: -495.479
Base-Backbone interact. energy: -2.117
local terms energy: -507.282207
where:
bonds (distance) C4'-P energy: -96.348
bonds (distance) P-C4' energy: -90.025
flat angles C4'-P-C4' energy: -104.976
flat angles P-C4'-P energy: -74.347
tors. eta vs tors. theta energy: -141.586
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: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1566.539905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.539905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.539905 (E_RNA)
where:
Base-Base interactions energy: -1122.494
where: short stacking energy: -452.897
Base-Backbone interact. energy: 2.320
local terms energy: -446.365086
where:
bonds (distance) C4'-P energy: -76.358
bonds (distance) P-C4' energy: -98.937
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -59.167
tors. eta vs tors. theta energy: -114.809
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: 221
Temperature: 1.000000
Total energy: -1550.570616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.570616 (E_RNA)
where:
Base-Base interactions energy: -1074.712
where: short stacking energy: -480.059
Base-Backbone interact. energy: -2.669
local terms energy: -473.189135
where:
bonds (distance) C4'-P energy: -84.212
bonds (distance) P-C4' energy: -84.790
flat angles C4'-P-C4' energy: -99.895
flat angles P-C4'-P energy: -68.071
tors. eta vs tors. theta energy: -136.221
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1459.736512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.736512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.736512 (E_RNA)
where:
Base-Base interactions energy: -1036.439
where: short stacking energy: -445.679
Base-Backbone interact. energy: -1.802
local terms energy: -421.495618
where:
bonds (distance) C4'-P energy: -75.642
bonds (distance) P-C4' energy: -75.265
flat angles C4'-P-C4' energy: -95.518
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -120.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1357.063509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.063509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.063509 (E_RNA)
where:
Base-Base interactions energy: -935.290
where: short stacking energy: -424.362
Base-Backbone interact. energy: -1.712
local terms energy: -420.061207
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -87.277
flat angles C4'-P-C4' energy: -92.652
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -116.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1243.725768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.725768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.725768 (E_RNA)
where:
Base-Base interactions energy: -819.887
where: short stacking energy: -365.493
Base-Backbone interact. energy: 1.319
local terms energy: -425.156946
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -84.212
flat angles C4'-P-C4' energy: -81.282
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -108.303
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: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1028.983003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.983003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.983003 (E_RNA)
where:
Base-Base interactions energy: -702.484
where: short stacking energy: -298.724
Base-Backbone interact. energy: 0.221
local terms energy: -326.719308
where:
bonds (distance) C4'-P energy: -71.012
bonds (distance) P-C4' energy: -82.037
flat angles C4'-P-C4' energy: -81.580
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: -60.767
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1023.672346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.672346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.672346 (E_RNA)
where:
Base-Base interactions energy: -678.503
where: short stacking energy: -333.425
Base-Backbone interact. energy: 1.001
local terms energy: -346.170191
where:
bonds (distance) C4'-P energy: -67.293
bonds (distance) P-C4' energy: -81.593
flat angles C4'-P-C4' energy: -84.393
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -765.206120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.206120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.206120 (E_RNA)
where:
Base-Base interactions energy: -465.204
where: short stacking energy: -230.278
Base-Backbone interact. energy: 7.770
local terms energy: -307.772830
where:
bonds (distance) C4'-P energy: -67.961
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -41.306
tors. eta vs tors. theta energy: -38.265
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -649.538472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.538472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.538472 (E_RNA)
where:
Base-Base interactions energy: -370.746
where: short stacking energy: -178.891
Base-Backbone interact. energy: 3.621
local terms energy: -282.413633
where:
bonds (distance) C4'-P energy: -70.897
bonds (distance) P-C4' energy: -78.548
flat angles C4'-P-C4' energy: -68.132
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1645.918266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.918266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.918266 (E_RNA)
where:
Base-Base interactions energy: -1143.504
where: short stacking energy: -481.853
Base-Backbone interact. energy: -2.947
local terms energy: -499.467061
where:
bonds (distance) C4'-P energy: -96.577
bonds (distance) P-C4' energy: -84.662
flat angles C4'-P-C4' energy: -102.748
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: -146.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1557.262493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.262493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.262493 (E_RNA)
where:
Base-Base interactions energy: -1122.091
where: short stacking energy: -454.368
Base-Backbone interact. energy: -1.687
local terms energy: -433.484180
where:
bonds (distance) C4'-P energy: -79.110
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -91.459
flat angles P-C4'-P energy: -54.856
tors. eta vs tors. theta energy: -125.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1477.556681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.556681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.556681 (E_RNA)
where:
Base-Base interactions energy: -1035.043
where: short stacking energy: -453.791
Base-Backbone interact. energy: 0.344
local terms energy: -442.857238
where:
bonds (distance) C4'-P energy: -75.628
bonds (distance) P-C4' energy: -80.645
flat angles C4'-P-C4' energy: -93.737
flat angles P-C4'-P energy: -74.538
tors. eta vs tors. theta energy: -118.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1510.038016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.038016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.038016 (E_RNA)
where:
Base-Base interactions energy: -1054.034
where: short stacking energy: -467.330
Base-Backbone interact. energy: -1.413
local terms energy: -454.590422
where:
bonds (distance) C4'-P energy: -76.113
bonds (distance) P-C4' energy: -85.255
flat angles C4'-P-C4' energy: -101.922
flat angles P-C4'-P energy: -62.833
tors. eta vs tors. theta energy: -128.467
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: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1346.766005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.766005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.766005 (E_RNA)
where:
Base-Base interactions energy: -940.916
where: short stacking energy: -420.453
Base-Backbone interact. energy: 0.416
local terms energy: -406.265160
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -89.328
flat angles C4'-P-C4' energy: -87.956
flat angles P-C4'-P energy: -50.869
tors. eta vs tors. theta energy: -106.557
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1243.395344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.395344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.395344 (E_RNA)
where:
Base-Base interactions energy: -850.999
where: short stacking energy: -370.452
Base-Backbone interact. energy: -1.795
local terms energy: -390.601737
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -86.493
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -98.282
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: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1027.728479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.728479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.728479 (E_RNA)
where:
Base-Base interactions energy: -648.165
where: short stacking energy: -302.646
Base-Backbone interact. energy: -4.652
local terms energy: -374.911440
where:
bonds (distance) C4'-P energy: -77.688
bonds (distance) P-C4' energy: -79.831
flat angles C4'-P-C4' energy: -84.806
flat angles P-C4'-P energy: -61.831
tors. eta vs tors. theta energy: -70.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -980.501157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.501157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.501157 (E_RNA)
where:
Base-Base interactions energy: -663.356
where: short stacking energy: -292.210
Base-Backbone interact. energy: -1.628
local terms energy: -315.517216
where:
bonds (distance) C4'-P energy: -66.021
bonds (distance) P-C4' energy: -61.111
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -57.471
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: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -785.800138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.800138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.800138 (E_RNA)
where:
Base-Base interactions energy: -476.240
where: short stacking energy: -222.089
Base-Backbone interact. energy: 4.200
local terms energy: -313.759764
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -82.251
flat angles C4'-P-C4' energy: -72.204
flat angles P-C4'-P energy: -44.965
tors. eta vs tors. theta energy: -29.909
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -623.208087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.208087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.208087 (E_RNA)
where:
Base-Base interactions energy: -373.864
where: short stacking energy: -188.232
Base-Backbone interact. energy: 0.790
local terms energy: -250.133887
where:
bonds (distance) C4'-P energy: -61.716
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -66.736
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1637.132306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.132306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.132306 (E_RNA)
where:
Base-Base interactions energy: -1126.722
where: short stacking energy: -500.859
Base-Backbone interact. energy: -2.211
local terms energy: -508.198650
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -107.801
flat angles P-C4'-P energy: -70.720
tors. eta vs tors. theta energy: -140.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1568.256978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.256978 (E_RNA)
where:
Base-Base interactions energy: -1108.154
where: short stacking energy: -458.268
Base-Backbone interact. energy: -3.186
local terms energy: -456.917303
where:
bonds (distance) C4'-P energy: -86.026
bonds (distance) P-C4' energy: -83.223
flat angles C4'-P-C4' energy: -91.020
flat angles P-C4'-P energy: -71.125
tors. eta vs tors. theta energy: -125.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1483.101882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.101882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.101882 (E_RNA)
where:
Base-Base interactions energy: -1025.659
where: short stacking energy: -448.914
Base-Backbone interact. energy: -1.778
local terms energy: -455.664947
where:
bonds (distance) C4'-P energy: -81.247
bonds (distance) P-C4' energy: -91.997
flat angles C4'-P-C4' energy: -96.998
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: -120.238
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: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1529.701386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.701386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.701386 (E_RNA)
where:
Base-Base interactions energy: -1054.670
where: short stacking energy: -459.219
Base-Backbone interact. energy: -3.747
local terms energy: -471.284881
where:
bonds (distance) C4'-P energy: -88.737
bonds (distance) P-C4' energy: -86.741
flat angles C4'-P-C4' energy: -93.130
flat angles P-C4'-P energy: -75.583
tors. eta vs tors. theta energy: -127.094
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1417.648458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.648458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.648458 (E_RNA)
where:
Base-Base interactions energy: -982.049
where: short stacking energy: -425.010
Base-Backbone interact. energy: 0.712
local terms energy: -436.312099
where:
bonds (distance) C4'-P energy: -86.019
bonds (distance) P-C4' energy: -68.372
flat angles C4'-P-C4' energy: -92.424
flat angles P-C4'-P energy: -66.937
tors. eta vs tors. theta energy: -122.560
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: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1269.574643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.574643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.574643 (E_RNA)
where:
Base-Base interactions energy: -843.815
where: short stacking energy: -366.405
Base-Backbone interact. energy: -0.880
local terms energy: -424.879412
where:
bonds (distance) C4'-P energy: -75.667
bonds (distance) P-C4' energy: -99.819
flat angles C4'-P-C4' energy: -90.918
flat angles P-C4'-P energy: -60.152
tors. eta vs tors. theta energy: -98.323
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: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1050.235077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.235077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.235077 (E_RNA)
where:
Base-Base interactions energy: -720.754
where: short stacking energy: -321.874
Base-Backbone interact. energy: -1.322
local terms energy: -328.158454
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -85.572
flat angles C4'-P-C4' energy: -72.351
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -906.584198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.584198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.584198 (E_RNA)
where:
Base-Base interactions energy: -595.837
where: short stacking energy: -255.777
Base-Backbone interact. energy: 3.512
local terms energy: -314.258793
where:
bonds (distance) C4'-P energy: -68.275
bonds (distance) P-C4' energy: -82.460
flat angles C4'-P-C4' energy: -78.884
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -45.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -704.725721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.725721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.725721 (E_RNA)
where:
Base-Base interactions energy: -406.877
where: short stacking energy: -195.655
Base-Backbone interact. energy: -1.361
local terms energy: -296.487773
where:
bonds (distance) C4'-P energy: -82.452
bonds (distance) P-C4' energy: -75.023
flat angles C4'-P-C4' energy: -73.164
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -23.989
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: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -643.113156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.113156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.113156 (E_RNA)
where:
Base-Base interactions energy: -367.782
where: short stacking energy: -174.281
Base-Backbone interact. energy: -2.239
local terms energy: -273.091334
where:
bonds (distance) C4'-P energy: -73.396
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1655.581865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.581865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.581865 (E_RNA)
where:
Base-Base interactions energy: -1135.133
where: short stacking energy: -504.097
Base-Backbone interact. energy: -2.215
local terms energy: -518.234149
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -90.600
flat angles C4'-P-C4' energy: -114.579
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -154.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1585.846955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.846955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.846955 (E_RNA)
where:
Base-Base interactions energy: -1117.080
where: short stacking energy: -455.084
Base-Backbone interact. energy: -2.744
local terms energy: -466.023732
where:
bonds (distance) C4'-P energy: -87.283
bonds (distance) P-C4' energy: -85.427
flat angles C4'-P-C4' energy: -104.937
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -115.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1514.011604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.011604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.011604 (E_RNA)
where:
Base-Base interactions energy: -1046.597
where: short stacking energy: -449.602
Base-Backbone interact. energy: -1.069
local terms energy: -466.344856
where:
bonds (distance) C4'-P energy: -80.945
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -104.246
flat angles P-C4'-P energy: -72.758
tors. eta vs tors. theta energy: -116.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1505.738926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.738926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.738926 (E_RNA)
where:
Base-Base interactions energy: -1040.478
where: short stacking energy: -457.280
Base-Backbone interact. energy: -2.515
local terms energy: -462.745994
where:
bonds (distance) C4'-P energy: -88.430
bonds (distance) P-C4' energy: -81.281
flat angles C4'-P-C4' energy: -95.650
flat angles P-C4'-P energy: -65.525
tors. eta vs tors. theta energy: -131.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1381.360438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.360438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.360438 (E_RNA)
where:
Base-Base interactions energy: -954.400
where: short stacking energy: -425.425
Base-Backbone interact. energy: -4.496
local terms energy: -422.464499
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -90.045
flat angles P-C4'-P energy: -51.985
tors. eta vs tors. theta energy: -117.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1286.839194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.839194 (E_RNA)
where:
Base-Base interactions energy: -870.346
where: short stacking energy: -383.725
Base-Backbone interact. energy: -2.204
local terms energy: -414.288745
where:
bonds (distance) C4'-P energy: -83.273
bonds (distance) P-C4' energy: -85.798
flat angles C4'-P-C4' energy: -86.099
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -102.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1050.192246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.192246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.192246 (E_RNA)
where:
Base-Base interactions energy: -688.804
where: short stacking energy: -305.198
Base-Backbone interact. energy: 0.418
local terms energy: -361.806440
where:
bonds (distance) C4'-P energy: -85.220
bonds (distance) P-C4' energy: -79.790
flat angles C4'-P-C4' energy: -82.051
flat angles P-C4'-P energy: -52.109
tors. eta vs tors. theta energy: -62.636
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: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -974.894484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.894484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.894484 (E_RNA)
where:
Base-Base interactions energy: -635.892
where: short stacking energy: -280.632
Base-Backbone interact. energy: -2.408
local terms energy: -336.593704
where:
bonds (distance) C4'-P energy: -66.769
bonds (distance) P-C4' energy: -81.327
flat angles C4'-P-C4' energy: -87.330
flat angles P-C4'-P energy: -50.113
tors. eta vs tors. theta energy: -51.055
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: 224
Temperature: 1.300000
Total energy: -697.109563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.109563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.109563 (E_RNA)
where:
Base-Base interactions energy: -407.257
where: short stacking energy: -210.891
Base-Backbone interact. energy: 0.390
local terms energy: -290.242421
where:
bonds (distance) C4'-P energy: -76.149
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -63.382
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -646.167871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.167871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.167871 (E_RNA)
where:
Base-Base interactions energy: -363.708
where: short stacking energy: -198.998
Base-Backbone interact. energy: -0.418
local terms energy: -282.041472
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -84.850
flat angles C4'-P-C4' energy: -71.408
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -26.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1671.979328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.979328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.979328 (E_RNA)
where:
Base-Base interactions energy: -1146.801
where: short stacking energy: -511.909
Base-Backbone interact. energy: -3.270
local terms energy: -521.908882
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -94.506
flat angles C4'-P-C4' energy: -105.675
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -145.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1586.851826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.851826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.851826 (E_RNA)
where:
Base-Base interactions energy: -1111.096
where: short stacking energy: -476.880
Base-Backbone interact. energy: -1.783
local terms energy: -473.973113
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -84.468
flat angles C4'-P-C4' energy: -99.790
flat angles P-C4'-P energy: -66.357
tors. eta vs tors. theta energy: -127.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1519.914925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.914925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.914925 (E_RNA)
where:
Base-Base interactions energy: -1055.672
where: short stacking energy: -452.377
Base-Backbone interact. energy: -0.741
local terms energy: -463.502215
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -92.841
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -125.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1517.644423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.644423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.644423 (E_RNA)
where:
Base-Base interactions energy: -1026.127
where: short stacking energy: -459.074
Base-Backbone interact. energy: -2.682
local terms energy: -488.835483
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -87.772
flat angles C4'-P-C4' energy: -109.040
flat angles P-C4'-P energy: -76.425
tors. eta vs tors. theta energy: -132.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1349.660772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.660772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.660772 (E_RNA)
where:
Base-Base interactions energy: -937.656
where: short stacking energy: -415.670
Base-Backbone interact. energy: 0.376
local terms energy: -412.380977
where:
bonds (distance) C4'-P energy: -58.726
bonds (distance) P-C4' energy: -76.818
flat angles C4'-P-C4' energy: -100.477
flat angles P-C4'-P energy: -61.132
tors. eta vs tors. theta energy: -115.228
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: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1249.157522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.157522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.157522 (E_RNA)
where:
Base-Base interactions energy: -867.875
where: short stacking energy: -390.770
Base-Backbone interact. energy: -2.344
local terms energy: -378.938954
where:
bonds (distance) C4'-P energy: -77.432
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -81.684
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -103.373
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: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1082.271757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.271757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.271757 (E_RNA)
where:
Base-Base interactions energy: -726.347
where: short stacking energy: -341.818
Base-Backbone interact. energy: 5.583
local terms energy: -361.507853
where:
bonds (distance) C4'-P energy: -76.826
bonds (distance) P-C4' energy: -78.439
flat angles C4'-P-C4' energy: -84.595
flat angles P-C4'-P energy: -52.254
tors. eta vs tors. theta energy: -69.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -937.084635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.084635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.084635 (E_RNA)
where:
Base-Base interactions energy: -590.755
where: short stacking energy: -265.580
Base-Backbone interact. energy: -2.711
local terms energy: -343.618855
where:
bonds (distance) C4'-P energy: -68.687
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -83.116
flat angles P-C4'-P energy: -66.801
tors. eta vs tors. theta energy: -54.793
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: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -716.693440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.693440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.693440 (E_RNA)
where:
Base-Base interactions energy: -397.706
where: short stacking energy: -209.007
Base-Backbone interact. energy: -0.281
local terms energy: -318.706361
where:
bonds (distance) C4'-P energy: -74.682
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -66.160
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -40.420
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -632.618091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.618091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.618091 (E_RNA)
where:
Base-Base interactions energy: -400.187
where: short stacking energy: -204.997
Base-Backbone interact. energy: -2.315
local terms energy: -230.115374
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -63.045
flat angles C4'-P-C4' energy: -72.670
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1648.112194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.112194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.112194 (E_RNA)
where:
Base-Base interactions energy: -1123.449
where: short stacking energy: -508.894
Base-Backbone interact. energy: -1.008
local terms energy: -523.655489
where:
bonds (distance) C4'-P energy: -98.483
bonds (distance) P-C4' energy: -90.603
flat angles C4'-P-C4' energy: -111.317
flat angles P-C4'-P energy: -71.476
tors. eta vs tors. theta energy: -151.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1580.723391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.723391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.723391 (E_RNA)
where:
Base-Base interactions energy: -1100.159
where: short stacking energy: -431.638
Base-Backbone interact. energy: 1.607
local terms energy: -482.171833
where:
bonds (distance) C4'-P energy: -84.640
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -101.320
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -123.930
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1565.437008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.437008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.437008 (E_RNA)
where:
Base-Base interactions energy: -1092.255
where: short stacking energy: -481.811
Base-Backbone interact. energy: -3.225
local terms energy: -469.956526
where:
bonds (distance) C4'-P energy: -80.440
bonds (distance) P-C4' energy: -82.780
flat angles C4'-P-C4' energy: -92.723
flat angles P-C4'-P energy: -76.838
tors. eta vs tors. theta energy: -137.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1470.538949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.538949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.538949 (E_RNA)
where:
Base-Base interactions energy: -1008.086
where: short stacking energy: -441.734
Base-Backbone interact. energy: -2.088
local terms energy: -460.364914
where:
bonds (distance) C4'-P energy: -85.324
bonds (distance) P-C4' energy: -80.807
flat angles C4'-P-C4' energy: -101.838
flat angles P-C4'-P energy: -65.245
tors. eta vs tors. theta energy: -127.151
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1345.010770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.010770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.010770 (E_RNA)
where:
Base-Base interactions energy: -932.284
where: short stacking energy: -407.653
Base-Backbone interact. energy: 6.183
local terms energy: -418.909706
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -66.559
flat angles C4'-P-C4' energy: -91.479
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -114.981
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: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1267.760074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.760074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.760074 (E_RNA)
where:
Base-Base interactions energy: -843.098
where: short stacking energy: -371.412
Base-Backbone interact. energy: -3.404
local terms energy: -421.257974
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -86.921
flat angles C4'-P-C4' energy: -96.594
flat angles P-C4'-P energy: -68.244
tors. eta vs tors. theta energy: -99.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1071.775783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.775783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.775783 (E_RNA)
where:
Base-Base interactions energy: -726.905
where: short stacking energy: -336.677
Base-Backbone interact. energy: 2.403
local terms energy: -347.273850
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -80.419
flat angles C4'-P-C4' energy: -91.321
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -68.304
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: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -935.763951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.763951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.763951 (E_RNA)
where:
Base-Base interactions energy: -609.133
where: short stacking energy: -254.228
Base-Backbone interact. energy: -0.521
local terms energy: -326.109663
where:
bonds (distance) C4'-P energy: -82.030
bonds (distance) P-C4' energy: -82.754
flat angles C4'-P-C4' energy: -88.675
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: -38.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -807.748056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.748056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.748056 (E_RNA)
where:
Base-Base interactions energy: -528.107
where: short stacking energy: -250.905
Base-Backbone interact. energy: -0.207
local terms energy: -279.434216
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -67.135
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -45.705
tors. eta vs tors. theta energy: -31.689
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: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -677.717968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.717968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.717968 (E_RNA)
where:
Base-Base interactions energy: -409.828
where: short stacking energy: -192.975
Base-Backbone interact. energy: -0.584
local terms energy: -267.306631
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -73.064
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -41.653
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1644.483120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.483120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.483120 (E_RNA)
where:
Base-Base interactions energy: -1151.964
where: short stacking energy: -507.940
Base-Backbone interact. energy: -0.642
local terms energy: -491.877056
where:
bonds (distance) C4'-P energy: -86.432
bonds (distance) P-C4' energy: -81.195
flat angles C4'-P-C4' energy: -107.176
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -150.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1588.683838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.683838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.683838 (E_RNA)
where:
Base-Base interactions energy: -1087.807
where: short stacking energy: -476.202
Base-Backbone interact. energy: -0.577
local terms energy: -500.300283
where:
bonds (distance) C4'-P energy: -94.259
bonds (distance) P-C4' energy: -92.868
flat angles C4'-P-C4' energy: -104.062
flat angles P-C4'-P energy: -67.284
tors. eta vs tors. theta energy: -141.828
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1553.991594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.991594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.991594 (E_RNA)
where:
Base-Base interactions energy: -1113.451
where: short stacking energy: -427.314
Base-Backbone interact. energy: -3.691
local terms energy: -436.850327
where:
bonds (distance) C4'-P energy: -80.479
bonds (distance) P-C4' energy: -84.347
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -66.121
tors. eta vs tors. theta energy: -112.124
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: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1455.522846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.522846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.522846 (E_RNA)
where:
Base-Base interactions energy: -1012.452
where: short stacking energy: -447.573
Base-Backbone interact. energy: -1.096
local terms energy: -441.974243
where:
bonds (distance) C4'-P energy: -80.427
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -92.147
flat angles P-C4'-P energy: -62.680
tors. eta vs tors. theta energy: -116.562
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1341.206298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.206298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.206298 (E_RNA)
where:
Base-Base interactions energy: -909.207
where: short stacking energy: -396.967
Base-Backbone interact. energy: -2.240
local terms energy: -429.759439
where:
bonds (distance) C4'-P energy: -74.269
bonds (distance) P-C4' energy: -74.607
flat angles C4'-P-C4' energy: -103.474
flat angles P-C4'-P energy: -63.055
tors. eta vs tors. theta energy: -114.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1239.989960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.989960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.989960 (E_RNA)
where:
Base-Base interactions energy: -857.083
where: short stacking energy: -373.973
Base-Backbone interact. energy: -2.460
local terms energy: -380.446607
where:
bonds (distance) C4'-P energy: -72.229
bonds (distance) P-C4' energy: -64.281
flat angles C4'-P-C4' energy: -88.030
flat angles P-C4'-P energy: -57.139
tors. eta vs tors. theta energy: -98.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1000.562300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.562300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.562300 (E_RNA)
where:
Base-Base interactions energy: -619.372
where: short stacking energy: -274.581
Base-Backbone interact. energy: -2.582
local terms energy: -378.608007
where:
bonds (distance) C4'-P energy: -72.882
bonds (distance) P-C4' energy: -101.907
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -59.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -871.887276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.887276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.887276 (E_RNA)
where:
Base-Base interactions energy: -538.597
where: short stacking energy: -265.302
Base-Backbone interact. energy: -0.991
local terms energy: -332.299399
where:
bonds (distance) C4'-P energy: -74.624
bonds (distance) P-C4' energy: -89.746
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -44.083
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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -899.139596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.139596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.139596 (E_RNA)
where:
Base-Base interactions energy: -598.823
where: short stacking energy: -275.030
Base-Backbone interact. energy: 1.866
local terms energy: -302.182784
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -68.069
flat angles C4'-P-C4' energy: -70.369
flat angles P-C4'-P energy: -52.648
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -671.314454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.314454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.314454 (E_RNA)
where:
Base-Base interactions energy: -380.849
where: short stacking energy: -174.198
Base-Backbone interact. energy: -2.483
local terms energy: -287.982451
where:
bonds (distance) C4'-P energy: -82.121
bonds (distance) P-C4' energy: -80.584
flat angles C4'-P-C4' energy: -72.247
flat angles P-C4'-P energy: -39.591
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1631.891337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.891337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.891337 (E_RNA)
where:
Base-Base interactions energy: -1126.376
where: short stacking energy: -496.859
Base-Backbone interact. energy: 3.194
local terms energy: -508.709115
where:
bonds (distance) C4'-P energy: -95.659
bonds (distance) P-C4' energy: -89.528
flat angles C4'-P-C4' energy: -106.892
flat angles P-C4'-P energy: -70.592
tors. eta vs tors. theta energy: -146.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1589.698830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.698830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.698830 (E_RNA)
where:
Base-Base interactions energy: -1110.223
where: short stacking energy: -486.799
Base-Backbone interact. energy: 0.188
local terms energy: -479.663019
where:
bonds (distance) C4'-P energy: -84.895
bonds (distance) P-C4' energy: -91.683
flat angles C4'-P-C4' energy: -101.829
flat angles P-C4'-P energy: -66.122
tors. eta vs tors. theta energy: -135.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1550.596751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.596751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.596751 (E_RNA)
where:
Base-Base interactions energy: -1103.956
where: short stacking energy: -442.534
Base-Backbone interact. energy: -2.592
local terms energy: -444.049166
where:
bonds (distance) C4'-P energy: -80.225
bonds (distance) P-C4' energy: -87.627
flat angles C4'-P-C4' energy: -93.997
flat angles P-C4'-P energy: -64.024
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: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1427.396661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.396661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.396661 (E_RNA)
where:
Base-Base interactions energy: -980.224
where: short stacking energy: -448.470
Base-Backbone interact. energy: 3.481
local terms energy: -450.653274
where:
bonds (distance) C4'-P energy: -82.893
bonds (distance) P-C4' energy: -87.958
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -58.285
tors. eta vs tors. theta energy: -125.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1328.280324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.280324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.280324 (E_RNA)
where:
Base-Base interactions energy: -911.837
where: short stacking energy: -408.706
Base-Backbone interact. energy: -2.964
local terms energy: -413.479222
where:
bonds (distance) C4'-P energy: -71.261
bonds (distance) P-C4' energy: -81.273
flat angles C4'-P-C4' energy: -92.973
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -104.291
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: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1226.934167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.934167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.934167 (E_RNA)
where:
Base-Base interactions energy: -835.453
where: short stacking energy: -364.458
Base-Backbone interact. energy: -1.021
local terms energy: -390.459933
where:
bonds (distance) C4'-P energy: -78.844
bonds (distance) P-C4' energy: -74.330
flat angles C4'-P-C4' energy: -88.810
flat angles P-C4'-P energy: -54.799
tors. eta vs tors. theta energy: -93.677
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: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1078.536865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.536865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.536865 (E_RNA)
where:
Base-Base interactions energy: -712.354
where: short stacking energy: -321.095
Base-Backbone interact. energy: -3.518
local terms energy: -362.665587
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -97.051
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -73.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -878.877955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.877955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.877955 (E_RNA)
where:
Base-Base interactions energy: -557.998
where: short stacking energy: -275.420
Base-Backbone interact. energy: -2.172
local terms energy: -318.708223
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -77.249
flat angles C4'-P-C4' energy: -69.757
flat angles P-C4'-P energy: -57.873
tors. eta vs tors. theta energy: -49.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -897.212824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.212824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.212824 (E_RNA)
where:
Base-Base interactions energy: -614.213
where: short stacking energy: -280.395
Base-Backbone interact. energy: -0.088
local terms energy: -282.911794
where:
bonds (distance) C4'-P energy: -67.824
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -74.826
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -47.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -637.130359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.130359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.130359 (E_RNA)
where:
Base-Base interactions energy: -358.089
where: short stacking energy: -196.158
Base-Backbone interact. energy: 0.013
local terms energy: -279.053726
where:
bonds (distance) C4'-P energy: -74.781
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -73.789
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1633.857255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.857255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.857255 (E_RNA)
where:
Base-Base interactions energy: -1122.142
where: short stacking energy: -499.370
Base-Backbone interact. energy: -1.724
local terms energy: -509.991419
where:
bonds (distance) C4'-P energy: -102.604
bonds (distance) P-C4' energy: -88.623
flat angles C4'-P-C4' energy: -102.488
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -148.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1609.393132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.393132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.393132 (E_RNA)
where:
Base-Base interactions energy: -1107.000
where: short stacking energy: -504.239
Base-Backbone interact. energy: -3.424
local terms energy: -498.969652
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -93.022
flat angles C4'-P-C4' energy: -99.781
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -137.502
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: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1538.772540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.772540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.772540 (E_RNA)
where:
Base-Base interactions energy: -1101.161
where: short stacking energy: -423.422
Base-Backbone interact. energy: -3.974
local terms energy: -433.637449
where:
bonds (distance) C4'-P energy: -80.486
bonds (distance) P-C4' energy: -78.781
flat angles C4'-P-C4' energy: -99.904
flat angles P-C4'-P energy: -62.041
tors. eta vs tors. theta energy: -112.426
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1446.876147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.876147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.876147 (E_RNA)
where:
Base-Base interactions energy: -983.926
where: short stacking energy: -427.285
Base-Backbone interact. energy: -3.206
local terms energy: -459.743598
where:
bonds (distance) C4'-P energy: -95.716
bonds (distance) P-C4' energy: -90.238
flat angles C4'-P-C4' energy: -92.966
flat angles P-C4'-P energy: -64.293
tors. eta vs tors. theta energy: -116.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1318.361562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.361562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.361562 (E_RNA)
where:
Base-Base interactions energy: -909.986
where: short stacking energy: -399.740
Base-Backbone interact. energy: -0.937
local terms energy: -407.438561
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -71.947
flat angles C4'-P-C4' energy: -92.238
flat angles P-C4'-P energy: -68.965
tors. eta vs tors. theta energy: -105.058
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: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1270.795885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.795885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.795885 (E_RNA)
where:
Base-Base interactions energy: -855.002
where: short stacking energy: -388.404
Base-Backbone interact. energy: -1.895
local terms energy: -413.899444
where:
bonds (distance) C4'-P energy: -80.810
bonds (distance) P-C4' energy: -79.899
flat angles C4'-P-C4' energy: -88.580
flat angles P-C4'-P energy: -52.080
tors. eta vs tors. theta energy: -112.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1082.268240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.268240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.268240 (E_RNA)
where:
Base-Base interactions energy: -716.731
where: short stacking energy: -299.885
Base-Backbone interact. energy: 0.985
local terms energy: -366.522432
where:
bonds (distance) C4'-P energy: -79.121
bonds (distance) P-C4' energy: -81.925
flat angles C4'-P-C4' energy: -79.952
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -72.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -926.002533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.002533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.002533 (E_RNA)
where:
Base-Base interactions energy: -566.060
where: short stacking energy: -262.372
Base-Backbone interact. energy: -3.208
local terms energy: -356.734116
where:
bonds (distance) C4'-P energy: -84.178
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -65.067
flat angles P-C4'-P energy: -47.040
tors. eta vs tors. theta energy: -65.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -789.653006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.653006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.653006 (E_RNA)
where:
Base-Base interactions energy: -484.594
where: short stacking energy: -230.188
Base-Backbone interact. energy: -0.913
local terms energy: -304.145950
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -80.340
flat angles C4'-P-C4' energy: -77.127
flat angles P-C4'-P energy: -47.380
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -569.583504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.583504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.583504 (E_RNA)
where:
Base-Base interactions energy: -324.385
where: short stacking energy: -165.924
Base-Backbone interact. energy: -2.518
local terms energy: -242.680472
where:
bonds (distance) C4'-P energy: -70.265
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -75.635
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1637.665336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.665336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.665336 (E_RNA)
where:
Base-Base interactions energy: -1142.028
where: short stacking energy: -511.762
Base-Backbone interact. energy: -1.890
local terms energy: -493.746802
where:
bonds (distance) C4'-P energy: -85.462
bonds (distance) P-C4' energy: -87.182
flat angles C4'-P-C4' energy: -109.612
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: -151.875
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1609.370163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.370163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.370163 (E_RNA)
where:
Base-Base interactions energy: -1100.718
where: short stacking energy: -491.996
Base-Backbone interact. energy: 1.287
local terms energy: -509.938652
where:
bonds (distance) C4'-P energy: -90.398
bonds (distance) P-C4' energy: -91.499
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -69.184
tors. eta vs tors. theta energy: -146.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1534.285729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.285729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.285729 (E_RNA)
where:
Base-Base interactions energy: -1084.748
where: short stacking energy: -443.719
Base-Backbone interact. energy: 1.425
local terms energy: -450.962941
where:
bonds (distance) C4'-P energy: -79.178
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -96.356
flat angles P-C4'-P energy: -63.038
tors. eta vs tors. theta energy: -123.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1441.506947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.506947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.506947 (E_RNA)
where:
Base-Base interactions energy: -974.025
where: short stacking energy: -415.555
Base-Backbone interact. energy: -3.468
local terms energy: -464.014171
where:
bonds (distance) C4'-P energy: -89.903
bonds (distance) P-C4' energy: -90.304
flat angles C4'-P-C4' energy: -90.519
flat angles P-C4'-P energy: -72.124
tors. eta vs tors. theta energy: -121.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1332.709165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.709165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.709165 (E_RNA)
where:
Base-Base interactions energy: -904.942
where: short stacking energy: -414.919
Base-Backbone interact. energy: 0.963
local terms energy: -428.730294
where:
bonds (distance) C4'-P energy: -81.733
bonds (distance) P-C4' energy: -81.257
flat angles C4'-P-C4' energy: -96.818
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -121.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1260.573916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.573916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.573916 (E_RNA)
where:
Base-Base interactions energy: -854.407
where: short stacking energy: -377.772
Base-Backbone interact. energy: 0.504
local terms energy: -406.670986
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -86.928
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -94.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1033.079048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.079048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.079048 (E_RNA)
where:
Base-Base interactions energy: -689.852
where: short stacking energy: -325.381
Base-Backbone interact. energy: 2.339
local terms energy: -345.566198
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -66.984
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -70.687
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -876.246190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.246190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.246190 (E_RNA)
where:
Base-Base interactions energy: -561.880
where: short stacking energy: -269.201
Base-Backbone interact. energy: 0.936
local terms energy: -315.301933
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -87.131
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -44.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -769.223515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.223515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.223515 (E_RNA)
where:
Base-Base interactions energy: -472.005
where: short stacking energy: -247.849
Base-Backbone interact. energy: 0.826
local terms energy: -298.044472
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -84.457
flat angles C4'-P-C4' energy: -74.531
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -40.206
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -575.533126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.533126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.533126 (E_RNA)
where:
Base-Base interactions energy: -314.144
where: short stacking energy: -174.390
Base-Backbone interact. energy: 0.522
local terms energy: -261.912021
where:
bonds (distance) C4'-P energy: -82.715
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -50.421
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1633.057688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.057688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.057688 (E_RNA)
where:
Base-Base interactions energy: -1117.181
where: short stacking energy: -508.981
Base-Backbone interact. energy: 0.059
local terms energy: -515.934882
where:
bonds (distance) C4'-P energy: -93.118
bonds (distance) P-C4' energy: -92.268
flat angles C4'-P-C4' energy: -105.911
flat angles P-C4'-P energy: -72.531
tors. eta vs tors. theta energy: -152.108
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1544.637780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.637780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.637780 (E_RNA)
where:
Base-Base interactions energy: -1063.521
where: short stacking energy: -475.378
Base-Backbone interact. energy: -2.015
local terms energy: -479.102180
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -91.887
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -64.843
tors. eta vs tors. theta energy: -132.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1556.869126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.869126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.869126 (E_RNA)
where:
Base-Base interactions energy: -1097.543
where: short stacking energy: -436.351
Base-Backbone interact. energy: -2.265
local terms energy: -457.061473
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -79.534
flat angles C4'-P-C4' energy: -105.962
flat angles P-C4'-P energy: -71.232
tors. eta vs tors. theta energy: -119.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1447.474764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.474764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.474764 (E_RNA)
where:
Base-Base interactions energy: -993.145
where: short stacking energy: -424.831
Base-Backbone interact. energy: -0.529
local terms energy: -453.800354
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -76.083
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -67.391
tors. eta vs tors. theta energy: -115.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1287.489852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.489852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.489852 (E_RNA)
where:
Base-Base interactions energy: -876.779
where: short stacking energy: -384.637
Base-Backbone interact. energy: -0.403
local terms energy: -410.307228
where:
bonds (distance) C4'-P energy: -75.307
bonds (distance) P-C4' energy: -82.783
flat angles C4'-P-C4' energy: -92.230
flat angles P-C4'-P energy: -54.673
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: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1278.367566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.367566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.367566 (E_RNA)
where:
Base-Base interactions energy: -853.655
where: short stacking energy: -390.126
Base-Backbone interact. energy: 0.638
local terms energy: -425.350682
where:
bonds (distance) C4'-P energy: -84.999
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -96.342
flat angles P-C4'-P energy: -72.619
tors. eta vs tors. theta energy: -90.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1074.815534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.815534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.815534 (E_RNA)
where:
Base-Base interactions energy: -733.722
where: short stacking energy: -328.994
Base-Backbone interact. energy: 0.222
local terms energy: -341.315654
where:
bonds (distance) C4'-P energy: -68.720
bonds (distance) P-C4' energy: -68.142
flat angles C4'-P-C4' energy: -90.550
flat angles P-C4'-P energy: -53.008
tors. eta vs tors. theta energy: -60.895
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -863.811761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.811761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.811761 (E_RNA)
where:
Base-Base interactions energy: -559.644
where: short stacking energy: -281.236
Base-Backbone interact. energy: 4.161
local terms energy: -308.329014
where:
bonds (distance) C4'-P energy: -67.850
bonds (distance) P-C4' energy: -75.804
flat angles C4'-P-C4' energy: -64.470
flat angles P-C4'-P energy: -46.089
tors. eta vs tors. theta energy: -54.115
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -814.577332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.577332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.577332 (E_RNA)
where:
Base-Base interactions energy: -502.221
where: short stacking energy: -246.654
Base-Backbone interact. energy: 0.672
local terms energy: -313.028627
where:
bonds (distance) C4'-P energy: -75.505
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -81.388
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -32.744
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: 231
Temperature: 1.350000
Total energy: -586.661246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.661246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.661246 (E_RNA)
where:
Base-Base interactions energy: -346.908
where: short stacking energy: -202.136
Base-Backbone interact. energy: -2.539
local terms energy: -237.214014
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1647.080048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.080048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.080048 (E_RNA)
where:
Base-Base interactions energy: -1137.959
where: short stacking energy: -512.528
Base-Backbone interact. energy: -0.428
local terms energy: -508.693113
where:
bonds (distance) C4'-P energy: -98.438
bonds (distance) P-C4' energy: -89.497
flat angles C4'-P-C4' energy: -101.472
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -155.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1558.469263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.469263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.469263 (E_RNA)
where:
Base-Base interactions energy: -1090.985
where: short stacking energy: -476.361
Base-Backbone interact. energy: -1.412
local terms energy: -466.072240
where:
bonds (distance) C4'-P energy: -84.049
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -104.215
flat angles P-C4'-P energy: -64.070
tors. eta vs tors. theta energy: -130.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1542.280942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.280942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.280942 (E_RNA)
where:
Base-Base interactions energy: -1088.955
where: short stacking energy: -436.677
Base-Backbone interact. energy: -2.497
local terms energy: -450.829047
where:
bonds (distance) C4'-P energy: -78.069
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -73.083
tors. eta vs tors. theta energy: -115.677
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: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1451.879550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.879550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.879550 (E_RNA)
where:
Base-Base interactions energy: -1008.715
where: short stacking energy: -447.702
Base-Backbone interact. energy: -2.141
local terms energy: -441.023932
where:
bonds (distance) C4'-P energy: -78.087
bonds (distance) P-C4' energy: -91.853
flat angles C4'-P-C4' energy: -98.363
flat angles P-C4'-P energy: -57.513
tors. eta vs tors. theta energy: -115.208
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: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1271.597104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.597104 (E_RNA)
where:
Base-Base interactions energy: -844.447
where: short stacking energy: -387.716
Base-Backbone interact. energy: -1.632
local terms energy: -425.518658
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -86.629
flat angles C4'-P-C4' energy: -88.785
flat angles P-C4'-P energy: -58.833
tors. eta vs tors. theta energy: -102.293
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: 232
Temperature: 1.150000
Total energy: -1239.516745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.516745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.516745 (E_RNA)
where:
Base-Base interactions energy: -826.177
where: short stacking energy: -375.288
Base-Backbone interact. energy: -0.116
local terms energy: -413.223966
where:
bonds (distance) C4'-P energy: -78.837
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -93.996
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -100.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1071.240429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.240429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.240429 (E_RNA)
where:
Base-Base interactions energy: -733.311
where: short stacking energy: -330.991
Base-Backbone interact. energy: 4.435
local terms energy: -342.364680
where:
bonds (distance) C4'-P energy: -62.713
bonds (distance) P-C4' energy: -84.142
flat angles C4'-P-C4' energy: -83.299
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -80.974
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: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -900.354687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.354687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.354687 (E_RNA)
where:
Base-Base interactions energy: -582.249
where: short stacking energy: -262.974
Base-Backbone interact. energy: -0.411
local terms energy: -317.695509
where:
bonds (distance) C4'-P energy: -68.928
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -69.319
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -812.003840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.003840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.003840 (E_RNA)
where:
Base-Base interactions energy: -515.660
where: short stacking energy: -225.878
Base-Backbone interact. energy: -0.906
local terms energy: -295.438663
where:
bonds (distance) C4'-P energy: -65.538
bonds (distance) P-C4' energy: -83.524
flat angles C4'-P-C4' energy: -67.447
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -39.838
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: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -624.673864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.673864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.673864 (E_RNA)
where:
Base-Base interactions energy: -362.016
where: short stacking energy: -180.087
Base-Backbone interact. energy: -2.410
local terms energy: -260.247348
where:
bonds (distance) C4'-P energy: -78.166
bonds (distance) P-C4' energy: -72.269
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -4.899
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: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1646.033445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.033445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.033445 (E_RNA)
where:
Base-Base interactions energy: -1148.250
where: short stacking energy: -516.713
Base-Backbone interact. energy: -1.384
local terms energy: -496.399778
where:
bonds (distance) C4'-P energy: -84.399
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -106.132
flat angles P-C4'-P energy: -65.992
tors. eta vs tors. theta energy: -147.255
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1563.021389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.021389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.021389 (E_RNA)
where:
Base-Base interactions energy: -1099.957
where: short stacking energy: -486.588
Base-Backbone interact. energy: -1.429
local terms energy: -461.635755
where:
bonds (distance) C4'-P energy: -77.428
bonds (distance) P-C4' energy: -80.153
flat angles C4'-P-C4' energy: -98.538
flat angles P-C4'-P energy: -70.083
tors. eta vs tors. theta energy: -135.434
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: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1545.926293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.926293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.926293 (E_RNA)
where:
Base-Base interactions energy: -1100.269
where: short stacking energy: -435.681
Base-Backbone interact. energy: 1.692
local terms energy: -447.349871
where:
bonds (distance) C4'-P energy: -89.844
bonds (distance) P-C4' energy: -77.005
flat angles C4'-P-C4' energy: -101.457
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -117.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1460.019100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.019100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.019100 (E_RNA)
where:
Base-Base interactions energy: -1019.841
where: short stacking energy: -445.169
Base-Backbone interact. energy: -2.724
local terms energy: -437.453728
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -71.497
flat angles C4'-P-C4' energy: -95.932
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: -124.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1305.812624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.812624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.812624 (E_RNA)
where:
Base-Base interactions energy: -866.173
where: short stacking energy: -411.094
Base-Backbone interact. energy: -1.060
local terms energy: -438.579916
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -97.511
flat angles C4'-P-C4' energy: -96.773
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -112.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1245.694272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.694272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.694272 (E_RNA)
where:
Base-Base interactions energy: -840.211
where: short stacking energy: -412.744
Base-Backbone interact. energy: -2.745
local terms energy: -402.738142
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -74.853
flat angles C4'-P-C4' energy: -93.900
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -106.030
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: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1100.746698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.746698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.746698 (E_RNA)
where:
Base-Base interactions energy: -727.900
where: short stacking energy: -323.824
Base-Backbone interact. energy: 0.932
local terms energy: -373.779121
where:
bonds (distance) C4'-P energy: -72.689
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -83.605
flat angles P-C4'-P energy: -53.668
tors. eta vs tors. theta energy: -74.968
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: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -928.710463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.710463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.710463 (E_RNA)
where:
Base-Base interactions energy: -578.817
where: short stacking energy: -288.553
Base-Backbone interact. energy: -1.187
local terms energy: -348.706465
where:
bonds (distance) C4'-P energy: -63.522
bonds (distance) P-C4' energy: -81.605
flat angles C4'-P-C4' energy: -72.128
flat angles P-C4'-P energy: -63.851
tors. eta vs tors. theta energy: -67.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -845.361233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.361233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.361233 (E_RNA)
where:
Base-Base interactions energy: -543.783
where: short stacking energy: -242.797
Base-Backbone interact. energy: 1.780
local terms energy: -303.358575
where:
bonds (distance) C4'-P energy: -81.531
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -52.286
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: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -594.548502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.548502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.548502 (E_RNA)
where:
Base-Base interactions energy: -328.392
where: short stacking energy: -179.718
Base-Backbone interact. energy: -1.936
local terms energy: -264.220429
where:
bonds (distance) C4'-P energy: -71.813
bonds (distance) P-C4' energy: -86.038
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1651.260092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.260092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.260092 (E_RNA)
where:
Base-Base interactions energy: -1147.996
where: short stacking energy: -521.566
Base-Backbone interact. energy: -0.577
local terms energy: -502.687065
where:
bonds (distance) C4'-P energy: -92.099
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -103.692
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -146.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1587.856507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.856507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.856507 (E_RNA)
where:
Base-Base interactions energy: -1086.173
where: short stacking energy: -480.614
Base-Backbone interact. energy: -3.750
local terms energy: -497.933522
where:
bonds (distance) C4'-P energy: -94.016
bonds (distance) P-C4' energy: -95.145
flat angles C4'-P-C4' energy: -110.891
flat angles P-C4'-P energy: -61.222
tors. eta vs tors. theta energy: -136.659
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: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1556.754414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.754414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.754414 (E_RNA)
where:
Base-Base interactions energy: -1092.548
where: short stacking energy: -443.737
Base-Backbone interact. energy: -4.913
local terms energy: -459.293786
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -90.336
flat angles C4'-P-C4' energy: -94.274
flat angles P-C4'-P energy: -69.858
tors. eta vs tors. theta energy: -116.784
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: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1455.339914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.339914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.339914 (E_RNA)
where:
Base-Base interactions energy: -991.633
where: short stacking energy: -451.631
Base-Backbone interact. energy: -3.101
local terms energy: -460.605806
where:
bonds (distance) C4'-P energy: -87.235
bonds (distance) P-C4' energy: -84.069
flat angles C4'-P-C4' energy: -99.994
flat angles P-C4'-P energy: -63.842
tors. eta vs tors. theta energy: -125.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1278.502451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.502451 (E_RNA)
where:
Base-Base interactions energy: -854.526
where: short stacking energy: -394.812
Base-Backbone interact. energy: -2.572
local terms energy: -421.404464
where:
bonds (distance) C4'-P energy: -90.389
bonds (distance) P-C4' energy: -67.734
flat angles C4'-P-C4' energy: -92.494
flat angles P-C4'-P energy: -60.177
tors. eta vs tors. theta energy: -110.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1238.636946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.636946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.636946 (E_RNA)
where:
Base-Base interactions energy: -838.740
where: short stacking energy: -357.354
Base-Backbone interact. energy: -1.918
local terms energy: -397.979219
where:
bonds (distance) C4'-P energy: -84.397
bonds (distance) P-C4' energy: -83.098
flat angles C4'-P-C4' energy: -83.782
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -101.282
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: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1128.477208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.477208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.477208 (E_RNA)
where:
Base-Base interactions energy: -766.520
where: short stacking energy: -322.184
Base-Backbone interact. energy: -2.364
local terms energy: -359.592826
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -76.657
flat angles C4'-P-C4' energy: -78.327
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -946.590605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.590605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.590605 (E_RNA)
where:
Base-Base interactions energy: -603.355
where: short stacking energy: -287.747
Base-Backbone interact. energy: -1.556
local terms energy: -341.679131
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -79.769
flat angles C4'-P-C4' energy: -69.533
flat angles P-C4'-P energy: -62.064
tors. eta vs tors. theta energy: -65.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -821.525065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.525065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.525065 (E_RNA)
where:
Base-Base interactions energy: -503.914
where: short stacking energy: -248.745
Base-Backbone interact. energy: 0.058
local terms energy: -317.669223
where:
bonds (distance) C4'-P energy: -75.848
bonds (distance) P-C4' energy: -85.653
flat angles C4'-P-C4' energy: -68.396
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -607.854440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.854440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.854440 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -190.061
Base-Backbone interact. energy: 2.099
local terms energy: -265.709567
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -73.128
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -49.185
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1661.534968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.534968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.534968 (E_RNA)
where:
Base-Base interactions energy: -1136.455
where: short stacking energy: -524.144
Base-Backbone interact. energy: -0.871
local terms energy: -524.209030
where:
bonds (distance) C4'-P energy: -86.258
bonds (distance) P-C4' energy: -91.754
flat angles C4'-P-C4' energy: -114.215
flat angles P-C4'-P energy: -76.201
tors. eta vs tors. theta energy: -155.782
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: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1603.208736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.208736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.208736 (E_RNA)
where:
Base-Base interactions energy: -1106.349
where: short stacking energy: -493.251
Base-Backbone interact. energy: 0.653
local terms energy: -497.512862
where:
bonds (distance) C4'-P energy: -95.777
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -99.633
flat angles P-C4'-P energy: -68.768
tors. eta vs tors. theta energy: -138.617
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: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1539.608774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.608774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.608774 (E_RNA)
where:
Base-Base interactions energy: -1088.392
where: short stacking energy: -443.453
Base-Backbone interact. energy: -1.101
local terms energy: -450.116145
where:
bonds (distance) C4'-P energy: -95.212
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -92.545
flat angles P-C4'-P energy: -59.411
tors. eta vs tors. theta energy: -110.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1458.912256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.912256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.912256 (E_RNA)
where:
Base-Base interactions energy: -1002.793
where: short stacking energy: -436.439
Base-Backbone interact. energy: -3.095
local terms energy: -453.023457
where:
bonds (distance) C4'-P energy: -82.917
bonds (distance) P-C4' energy: -83.687
flat angles C4'-P-C4' energy: -104.415
flat angles P-C4'-P energy: -64.461
tors. eta vs tors. theta energy: -117.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1309.381120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.381120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.381120 (E_RNA)
where:
Base-Base interactions energy: -865.521
where: short stacking energy: -411.186
Base-Backbone interact. energy: -4.244
local terms energy: -439.615444
where:
bonds (distance) C4'-P energy: -74.245
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -89.762
flat angles P-C4'-P energy: -65.546
tors. eta vs tors. theta energy: -114.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1247.645460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.645460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.645460 (E_RNA)
where:
Base-Base interactions energy: -842.710
where: short stacking energy: -375.616
Base-Backbone interact. energy: -0.202
local terms energy: -404.733188
where:
bonds (distance) C4'-P energy: -74.809
bonds (distance) P-C4' energy: -85.626
flat angles C4'-P-C4' energy: -94.027
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -104.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1057.991880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.991880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.991880 (E_RNA)
where:
Base-Base interactions energy: -712.932
where: short stacking energy: -301.690
Base-Backbone interact. energy: 0.312
local terms energy: -345.372100
where:
bonds (distance) C4'-P energy: -70.852
bonds (distance) P-C4' energy: -92.725
flat angles C4'-P-C4' energy: -82.114
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -58.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -950.015957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.015957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.015957 (E_RNA)
where:
Base-Base interactions energy: -621.711
where: short stacking energy: -290.358
Base-Backbone interact. energy: 1.994
local terms energy: -330.299225
where:
bonds (distance) C4'-P energy: -78.620
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -50.990
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -675.020912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.020912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.020912 (E_RNA)
where:
Base-Base interactions energy: -412.794
where: short stacking energy: -186.254
Base-Backbone interact. energy: -0.680
local terms energy: -261.547430
where:
bonds (distance) C4'-P energy: -62.912
bonds (distance) P-C4' energy: -76.715
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -52.995
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -609.429378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.429378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.429378 (E_RNA)
where:
Base-Base interactions energy: -335.603
where: short stacking energy: -187.967
Base-Backbone interact. energy: -1.596
local terms energy: -272.229922
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -74.258
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1632.356101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.356101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.356101 (E_RNA)
where:
Base-Base interactions energy: -1120.705
where: short stacking energy: -508.957
Base-Backbone interact. energy: -2.155
local terms energy: -509.496049
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -91.179
flat angles C4'-P-C4' energy: -99.642
flat angles P-C4'-P energy: -81.611
tors. eta vs tors. theta energy: -149.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1598.995417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.995417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.995417 (E_RNA)
where:
Base-Base interactions energy: -1099.438
where: short stacking energy: -490.147
Base-Backbone interact. energy: 1.702
local terms energy: -501.259075
where:
bonds (distance) C4'-P energy: -87.755
bonds (distance) P-C4' energy: -96.924
flat angles C4'-P-C4' energy: -94.431
flat angles P-C4'-P energy: -71.755
tors. eta vs tors. theta energy: -150.394
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: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1513.125245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.125245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.125245 (E_RNA)
where:
Base-Base interactions energy: -1069.997
where: short stacking energy: -423.526
Base-Backbone interact. energy: -2.196
local terms energy: -440.932720
where:
bonds (distance) C4'-P energy: -90.329
bonds (distance) P-C4' energy: -83.081
flat angles C4'-P-C4' energy: -95.750
flat angles P-C4'-P energy: -58.071
tors. eta vs tors. theta energy: -113.702
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1447.330036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.330036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.330036 (E_RNA)
where:
Base-Base interactions energy: -986.199
where: short stacking energy: -438.995
Base-Backbone interact. energy: -2.125
local terms energy: -459.006688
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -99.923
flat angles P-C4'-P energy: -65.401
tors. eta vs tors. theta energy: -125.385
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: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1273.465308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.465308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.465308 (E_RNA)
where:
Base-Base interactions energy: -855.613
where: short stacking energy: -390.574
Base-Backbone interact. energy: -2.626
local terms energy: -415.225919
where:
bonds (distance) C4'-P energy: -72.653
bonds (distance) P-C4' energy: -88.759
flat angles C4'-P-C4' energy: -98.279
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -106.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1236.191303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.191303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.191303 (E_RNA)
where:
Base-Base interactions energy: -836.961
where: short stacking energy: -360.673
Base-Backbone interact. energy: -3.617
local terms energy: -395.612963
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -82.521
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -96.304
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1074.471762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.471762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.471762 (E_RNA)
where:
Base-Base interactions energy: -714.070
where: short stacking energy: -321.462
Base-Backbone interact. energy: -4.738
local terms energy: -355.664162
where:
bonds (distance) C4'-P energy: -68.212
bonds (distance) P-C4' energy: -79.229
flat angles C4'-P-C4' energy: -80.062
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -84.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -897.875190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.875190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.875190 (E_RNA)
where:
Base-Base interactions energy: -569.525
where: short stacking energy: -292.070
Base-Backbone interact. energy: -0.809
local terms energy: -327.540682
where:
bonds (distance) C4'-P energy: -68.379
bonds (distance) P-C4' energy: -68.112
flat angles C4'-P-C4' energy: -84.730
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -59.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -634.981137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.981137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.981137 (E_RNA)
where:
Base-Base interactions energy: -368.225
where: short stacking energy: -198.078
Base-Backbone interact. energy: 3.031
local terms energy: -269.786817
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -72.200
flat angles C4'-P-C4' energy: -73.037
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: -18.612
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -733.671374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.671374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.671374 (E_RNA)
where:
Base-Base interactions energy: -427.012
where: short stacking energy: -200.969
Base-Backbone interact. energy: 1.533
local terms energy: -308.192397
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -77.301
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1643.995879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.995879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.995879 (E_RNA)
where:
Base-Base interactions energy: -1131.631
where: short stacking energy: -514.483
Base-Backbone interact. energy: -1.799
local terms energy: -510.566650
where:
bonds (distance) C4'-P energy: -83.421
bonds (distance) P-C4' energy: -96.379
flat angles C4'-P-C4' energy: -113.189
flat angles P-C4'-P energy: -74.875
tors. eta vs tors. theta energy: -142.704
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: 237
Temperature: 0.950000
Total energy: -1579.719074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.719074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.719074 (E_RNA)
where:
Base-Base interactions energy: -1082.510
where: short stacking energy: -486.885
Base-Backbone interact. energy: -3.037
local terms energy: -494.172252
where:
bonds (distance) C4'-P energy: -87.462
bonds (distance) P-C4' energy: -81.093
flat angles C4'-P-C4' energy: -103.602
flat angles P-C4'-P energy: -75.994
tors. eta vs tors. theta energy: -146.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1527.171399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.171399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.171399 (E_RNA)
where:
Base-Base interactions energy: -1069.128
where: short stacking energy: -438.188
Base-Backbone interact. energy: -0.215
local terms energy: -457.829313
where:
bonds (distance) C4'-P energy: -80.467
bonds (distance) P-C4' energy: -91.470
flat angles C4'-P-C4' energy: -109.027
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -113.916
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: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1450.661937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.661937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.661937 (E_RNA)
where:
Base-Base interactions energy: -1019.131
where: short stacking energy: -455.068
Base-Backbone interact. energy: 0.399
local terms energy: -431.929768
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -62.446
flat angles C4'-P-C4' energy: -89.475
flat angles P-C4'-P energy: -65.189
tors. eta vs tors. theta energy: -123.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1299.318981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.318981 (E_RNA)
where:
Base-Base interactions energy: -862.529
where: short stacking energy: -381.335
Base-Backbone interact. energy: -1.765
local terms energy: -435.024970
where:
bonds (distance) C4'-P energy: -87.543
bonds (distance) P-C4' energy: -77.319
flat angles C4'-P-C4' energy: -104.176
flat angles P-C4'-P energy: -52.854
tors. eta vs tors. theta energy: -113.134
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: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1252.003132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.003132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.003132 (E_RNA)
where:
Base-Base interactions energy: -822.889
where: short stacking energy: -381.565
Base-Backbone interact. energy: -2.110
local terms energy: -427.003568
where:
bonds (distance) C4'-P energy: -83.524
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -91.485
flat angles P-C4'-P energy: -60.154
tors. eta vs tors. theta energy: -107.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1094.016078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.016078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.016078 (E_RNA)
where:
Base-Base interactions energy: -725.547
where: short stacking energy: -315.909
Base-Backbone interact. energy: -2.984
local terms energy: -365.485416
where:
bonds (distance) C4'-P energy: -62.815
bonds (distance) P-C4' energy: -84.688
flat angles C4'-P-C4' energy: -88.386
flat angles P-C4'-P energy: -61.469
tors. eta vs tors. theta energy: -68.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -905.380577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.380577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.380577 (E_RNA)
where:
Base-Base interactions energy: -568.731
where: short stacking energy: -274.896
Base-Backbone interact. energy: 0.646
local terms energy: -337.296061
where:
bonds (distance) C4'-P energy: -59.644
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -42.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -599.940991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.940991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.940991 (E_RNA)
where:
Base-Base interactions energy: -313.504
where: short stacking energy: -164.772
Base-Backbone interact. energy: -1.298
local terms energy: -285.139403
where:
bonds (distance) C4'-P energy: -76.948
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -73.088
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -742.494589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.494589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.494589 (E_RNA)
where:
Base-Base interactions energy: -444.657
where: short stacking energy: -226.699
Base-Backbone interact. energy: -2.132
local terms energy: -295.705879
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -71.970
flat angles C4'-P-C4' energy: -83.031
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -34.725
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: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1602.154552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.154552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.154552 (E_RNA)
where:
Base-Base interactions energy: -1108.838
where: short stacking energy: -483.512
Base-Backbone interact. energy: -3.422
local terms energy: -489.894482
where:
bonds (distance) C4'-P energy: -88.216
bonds (distance) P-C4' energy: -88.803
flat angles C4'-P-C4' energy: -101.524
flat angles P-C4'-P energy: -76.077
tors. eta vs tors. theta energy: -135.274
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: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1610.749626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.749626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.749626 (E_RNA)
where:
Base-Base interactions energy: -1101.450
where: short stacking energy: -491.924
Base-Backbone interact. energy: -1.753
local terms energy: -507.547099
where:
bonds (distance) C4'-P energy: -96.454
bonds (distance) P-C4' energy: -85.310
flat angles C4'-P-C4' energy: -109.009
flat angles P-C4'-P energy: -72.020
tors. eta vs tors. theta energy: -144.754
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: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1531.692599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.692599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.692599 (E_RNA)
where:
Base-Base interactions energy: -1087.475
where: short stacking energy: -441.502
Base-Backbone interact. energy: 2.775
local terms energy: -446.992385
where:
bonds (distance) C4'-P energy: -79.416
bonds (distance) P-C4' energy: -78.986
flat angles C4'-P-C4' energy: -94.847
flat angles P-C4'-P energy: -71.429
tors. eta vs tors. theta energy: -122.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1476.125799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.125799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.125799 (E_RNA)
where:
Base-Base interactions energy: -992.599
where: short stacking energy: -431.552
Base-Backbone interact. energy: -2.556
local terms energy: -480.971123
where:
bonds (distance) C4'-P energy: -93.113
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -99.135
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -125.512
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: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1322.561613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.561613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.561613 (E_RNA)
where:
Base-Base interactions energy: -918.493
where: short stacking energy: -413.900
Base-Backbone interact. energy: -1.581
local terms energy: -402.487010
where:
bonds (distance) C4'-P energy: -66.832
bonds (distance) P-C4' energy: -75.374
flat angles C4'-P-C4' energy: -88.034
flat angles P-C4'-P energy: -58.009
tors. eta vs tors. theta energy: -114.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1224.777383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.777383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.777383 (E_RNA)
where:
Base-Base interactions energy: -829.507
where: short stacking energy: -359.785
Base-Backbone interact. energy: -1.432
local terms energy: -393.838088
where:
bonds (distance) C4'-P energy: -84.632
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -85.246
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -92.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1022.350808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.350808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.350808 (E_RNA)
where:
Base-Base interactions energy: -683.818
where: short stacking energy: -304.624
Base-Backbone interact. energy: -3.130
local terms energy: -335.403588
where:
bonds (distance) C4'-P energy: -75.036
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -58.733
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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -957.466664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.466664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.466664 (E_RNA)
where:
Base-Base interactions energy: -621.490
where: short stacking energy: -274.257
Base-Backbone interact. energy: 2.256
local terms energy: -338.232457
where:
bonds (distance) C4'-P energy: -81.784
bonds (distance) P-C4' energy: -82.779
flat angles C4'-P-C4' energy: -68.457
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: -55.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -774.158282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.158282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.158282 (E_RNA)
where:
Base-Base interactions energy: -497.817
where: short stacking energy: -225.632
Base-Backbone interact. energy: 2.737
local terms energy: -279.078862
where:
bonds (distance) C4'-P energy: -71.608
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -43.621
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -592.663007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.663007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.663007 (E_RNA)
where:
Base-Base interactions energy: -333.744
where: short stacking energy: -182.848
Base-Backbone interact. energy: -2.452
local terms energy: -256.467508
where:
bonds (distance) C4'-P energy: -70.919
bonds (distance) P-C4' energy: -65.827
flat angles C4'-P-C4' energy: -67.834
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -10.794
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: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1607.041585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.041585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.041585 (E_RNA)
where:
Base-Base interactions energy: -1113.021
where: short stacking energy: -492.130
Base-Backbone interact. energy: -0.170
local terms energy: -493.851161
where:
bonds (distance) C4'-P energy: -90.456
bonds (distance) P-C4' energy: -86.310
flat angles C4'-P-C4' energy: -105.818
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -138.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1596.146663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.146663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.146663 (E_RNA)
where:
Base-Base interactions energy: -1102.813
where: short stacking energy: -480.999
Base-Backbone interact. energy: 0.209
local terms energy: -493.542474
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -86.735
flat angles C4'-P-C4' energy: -110.030
flat angles P-C4'-P energy: -69.356
tors. eta vs tors. theta energy: -139.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1537.027118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.027118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.027118 (E_RNA)
where:
Base-Base interactions energy: -1072.158
where: short stacking energy: -448.613
Base-Backbone interact. energy: -2.616
local terms energy: -462.253198
where:
bonds (distance) C4'-P energy: -88.099
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -90.837
flat angles P-C4'-P energy: -69.523
tors. eta vs tors. theta energy: -126.647
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1439.531059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.531059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.531059 (E_RNA)
where:
Base-Base interactions energy: -986.541
where: short stacking energy: -436.460
Base-Backbone interact. energy: -2.524
local terms energy: -450.466081
where:
bonds (distance) C4'-P energy: -75.103
bonds (distance) P-C4' energy: -95.730
flat angles C4'-P-C4' energy: -94.104
flat angles P-C4'-P energy: -67.139
tors. eta vs tors. theta energy: -118.389
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1319.008381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.008381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.008381 (E_RNA)
where:
Base-Base interactions energy: -909.391
where: short stacking energy: -390.307
Base-Backbone interact. energy: -1.860
local terms energy: -407.756590
where:
bonds (distance) C4'-P energy: -79.497
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -88.383
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -100.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1224.831880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.831880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.831880 (E_RNA)
where:
Base-Base interactions energy: -826.282
where: short stacking energy: -383.505
Base-Backbone interact. energy: -0.302
local terms energy: -398.248548
where:
bonds (distance) C4'-P energy: -72.836
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -92.722
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -107.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1055.165994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.165994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.165994 (E_RNA)
where:
Base-Base interactions energy: -706.131
where: short stacking energy: -304.451
Base-Backbone interact. energy: -0.550
local terms energy: -348.485087
where:
bonds (distance) C4'-P energy: -83.082
bonds (distance) P-C4' energy: -63.379
flat angles C4'-P-C4' energy: -83.350
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: -65.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -957.543529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.543529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.543529 (E_RNA)
where:
Base-Base interactions energy: -630.091
where: short stacking energy: -281.889
Base-Backbone interact. energy: -0.493
local terms energy: -326.959526
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -75.006
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -65.649
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -764.727218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.727218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.727218 (E_RNA)
where:
Base-Base interactions energy: -474.684
where: short stacking energy: -216.005
Base-Backbone interact. energy: 4.265
local terms energy: -294.307870
where:
bonds (distance) C4'-P energy: -75.470
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -31.070
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: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -592.771725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.771725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.771725 (E_RNA)
where:
Base-Base interactions energy: -346.314
where: short stacking energy: -179.944
Base-Backbone interact. energy: 2.043
local terms energy: -248.500319
where:
bonds (distance) C4'-P energy: -56.928
bonds (distance) P-C4' energy: -77.699
flat angles C4'-P-C4' energy: -64.227
flat angles P-C4'-P energy: -42.016
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1640.833835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.833835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.833835 (E_RNA)
where:
Base-Base interactions energy: -1130.957
where: short stacking energy: -506.997
Base-Backbone interact. energy: -0.818
local terms energy: -509.058103
where:
bonds (distance) C4'-P energy: -95.149
bonds (distance) P-C4' energy: -90.763
flat angles C4'-P-C4' energy: -102.174
flat angles P-C4'-P energy: -71.500
tors. eta vs tors. theta energy: -149.472
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1608.395353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.395353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.395353 (E_RNA)
where:
Base-Base interactions energy: -1098.678
where: short stacking energy: -486.791
Base-Backbone interact. energy: -3.790
local terms energy: -505.927214
where:
bonds (distance) C4'-P energy: -93.517
bonds (distance) P-C4' energy: -92.796
flat angles C4'-P-C4' energy: -107.452
flat angles P-C4'-P energy: -70.968
tors. eta vs tors. theta energy: -141.195
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: 240
Temperature: 1.000000
Total energy: -1534.670839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.670839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.670839 (E_RNA)
where:
Base-Base interactions energy: -1069.923
where: short stacking energy: -452.396
Base-Backbone interact. energy: -0.577
local terms energy: -464.170660
where:
bonds (distance) C4'-P energy: -83.700
bonds (distance) P-C4' energy: -95.811
flat angles C4'-P-C4' energy: -95.315
flat angles P-C4'-P energy: -65.701
tors. eta vs tors. theta energy: -123.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1439.379242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.379242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.379242 (E_RNA)
where:
Base-Base interactions energy: -984.732
where: short stacking energy: -422.080
Base-Backbone interact. energy: -1.473
local terms energy: -453.174650
where:
bonds (distance) C4'-P energy: -77.552
bonds (distance) P-C4' energy: -95.590
flat angles C4'-P-C4' energy: -97.340
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -116.531
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: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1322.951634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.951634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.951634 (E_RNA)
where:
Base-Base interactions energy: -912.394
where: short stacking energy: -382.618
Base-Backbone interact. energy: 0.237
local terms energy: -410.794306
where:
bonds (distance) C4'-P energy: -83.880
bonds (distance) P-C4' energy: -68.802
flat angles C4'-P-C4' energy: -84.865
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -108.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1226.637270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.637270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.637270 (E_RNA)
where:
Base-Base interactions energy: -828.504
where: short stacking energy: -392.569
Base-Backbone interact. energy: -1.993
local terms energy: -396.140017
where:
bonds (distance) C4'-P energy: -90.944
bonds (distance) P-C4' energy: -72.733
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -59.281
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1002.126824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.126824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.126824 (E_RNA)
where:
Base-Base interactions energy: -658.056
where: short stacking energy: -301.463
Base-Backbone interact. energy: -2.674
local terms energy: -341.396593
where:
bonds (distance) C4'-P energy: -73.089
bonds (distance) P-C4' energy: -77.421
flat angles C4'-P-C4' energy: -77.925
flat angles P-C4'-P energy: -54.930
tors. eta vs tors. theta energy: -58.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -928.272084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.272084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.272084 (E_RNA)
where:
Base-Base interactions energy: -582.580
where: short stacking energy: -271.856
Base-Backbone interact. energy: -0.277
local terms energy: -345.415283
where:
bonds (distance) C4'-P energy: -66.716
bonds (distance) P-C4' energy: -86.813
flat angles C4'-P-C4' energy: -86.871
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -53.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -786.849605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.849605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.849605 (E_RNA)
where:
Base-Base interactions energy: -511.704
where: short stacking energy: -230.885
Base-Backbone interact. energy: 0.337
local terms energy: -275.482923
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -70.232
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -35.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -609.857076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.857076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.857076 (E_RNA)
where:
Base-Base interactions energy: -339.731
where: short stacking energy: -163.209
Base-Backbone interact. energy: -2.653
local terms energy: -267.472495
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -68.547
flat angles C4'-P-C4' energy: -81.542
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1648.168164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.168164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.168164 (E_RNA)
where:
Base-Base interactions energy: -1147.322
where: short stacking energy: -520.663
Base-Backbone interact. energy: -0.597
local terms energy: -500.248893
where:
bonds (distance) C4'-P energy: -77.420
bonds (distance) P-C4' energy: -89.660
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -71.973
tors. eta vs tors. theta energy: -153.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1589.105496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.105496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.105496 (E_RNA)
where:
Base-Base interactions energy: -1104.846
where: short stacking energy: -504.511
Base-Backbone interact. energy: -0.473
local terms energy: -483.785750
where:
bonds (distance) C4'-P energy: -73.753
bonds (distance) P-C4' energy: -95.704
flat angles C4'-P-C4' energy: -102.684
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -137.291
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: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1541.419207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.419207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.419207 (E_RNA)
where:
Base-Base interactions energy: -1085.659
where: short stacking energy: -461.353
Base-Backbone interact. energy: -1.140
local terms energy: -454.619754
where:
bonds (distance) C4'-P energy: -71.992
bonds (distance) P-C4' energy: -90.992
flat angles C4'-P-C4' energy: -99.276
flat angles P-C4'-P energy: -74.406
tors. eta vs tors. theta energy: -117.954
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1442.939758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.939758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.939758 (E_RNA)
where:
Base-Base interactions energy: -983.510
where: short stacking energy: -434.539
Base-Backbone interact. energy: -2.082
local terms energy: -457.348026
where:
bonds (distance) C4'-P energy: -91.857
bonds (distance) P-C4' energy: -81.056
flat angles C4'-P-C4' energy: -99.601
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -114.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1280.010002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.010002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.010002 (E_RNA)
where:
Base-Base interactions energy: -862.820
where: short stacking energy: -398.497
Base-Backbone interact. energy: -1.982
local terms energy: -415.208250
where:
bonds (distance) C4'-P energy: -71.864
bonds (distance) P-C4' energy: -90.772
flat angles C4'-P-C4' energy: -81.391
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -109.760
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1259.503653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.503653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.503653 (E_RNA)
where:
Base-Base interactions energy: -836.584
where: short stacking energy: -374.315
Base-Backbone interact. energy: -2.452
local terms energy: -420.467473
where:
bonds (distance) C4'-P energy: -69.039
bonds (distance) P-C4' energy: -78.117
flat angles C4'-P-C4' energy: -90.862
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -112.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1007.138933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.138933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.138933 (E_RNA)
where:
Base-Base interactions energy: -657.425
where: short stacking energy: -284.430
Base-Backbone interact. energy: -2.394
local terms energy: -347.320067
where:
bonds (distance) C4'-P energy: -91.114
bonds (distance) P-C4' energy: -70.781
flat angles C4'-P-C4' energy: -90.886
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -901.052305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.052305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.052305 (E_RNA)
where:
Base-Base interactions energy: -556.825
where: short stacking energy: -256.057
Base-Backbone interact. energy: 3.072
local terms energy: -347.299220
where:
bonds (distance) C4'-P energy: -85.530
bonds (distance) P-C4' energy: -69.615
flat angles C4'-P-C4' energy: -90.712
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -48.941
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -782.542702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.542702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.542702 (E_RNA)
where:
Base-Base interactions energy: -492.815
where: short stacking energy: -228.864
Base-Backbone interact. energy: -1.858
local terms energy: -287.870383
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -75.471
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -45.048
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -589.780843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.780843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.780843 (E_RNA)
where:
Base-Base interactions energy: -312.523
where: short stacking energy: -174.755
Base-Backbone interact. energy: -0.993
local terms energy: -276.265227
where:
bonds (distance) C4'-P energy: -82.792
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -60.911
flat angles P-C4'-P energy: -46.856
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1647.093236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.093236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.093236 (E_RNA)
where:
Base-Base interactions energy: -1134.302
where: short stacking energy: -528.318
Base-Backbone interact. energy: -2.068
local terms energy: -510.723611
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -101.756
flat angles P-C4'-P energy: -77.437
tors. eta vs tors. theta energy: -152.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1574.866321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.866321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.866321 (E_RNA)
where:
Base-Base interactions energy: -1110.647
where: short stacking energy: -486.880
Base-Backbone interact. energy: -0.933
local terms energy: -463.285789
where:
bonds (distance) C4'-P energy: -69.137
bonds (distance) P-C4' energy: -90.982
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -129.571
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: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1531.784726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.784726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.784726 (E_RNA)
where:
Base-Base interactions energy: -1077.567
where: short stacking energy: -443.580
Base-Backbone interact. energy: -1.496
local terms energy: -452.721223
where:
bonds (distance) C4'-P energy: -79.586
bonds (distance) P-C4' energy: -83.692
flat angles C4'-P-C4' energy: -104.378
flat angles P-C4'-P energy: -70.687
tors. eta vs tors. theta energy: -114.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1428.578655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.578655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.578655 (E_RNA)
where:
Base-Base interactions energy: -957.833
where: short stacking energy: -413.220
Base-Backbone interact. energy: -2.453
local terms energy: -468.292419
where:
bonds (distance) C4'-P energy: -92.179
bonds (distance) P-C4' energy: -90.155
flat angles C4'-P-C4' energy: -100.283
flat angles P-C4'-P energy: -65.256
tors. eta vs tors. theta energy: -120.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1324.479348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.479348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.479348 (E_RNA)
where:
Base-Base interactions energy: -912.729
where: short stacking energy: -429.008
Base-Backbone interact. energy: 0.315
local terms energy: -412.065037
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -78.443
flat angles C4'-P-C4' energy: -92.716
flat angles P-C4'-P energy: -55.865
tors. eta vs tors. theta energy: -107.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1224.640437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.640437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.640437 (E_RNA)
where:
Base-Base interactions energy: -834.538
where: short stacking energy: -356.520
Base-Backbone interact. energy: -2.703
local terms energy: -387.400060
where:
bonds (distance) C4'-P energy: -79.985
bonds (distance) P-C4' energy: -83.832
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -47.541
tors. eta vs tors. theta energy: -93.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1002.890517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.890517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.890517 (E_RNA)
where:
Base-Base interactions energy: -674.725
where: short stacking energy: -304.708
Base-Backbone interact. energy: -2.895
local terms energy: -325.270279
where:
bonds (distance) C4'-P energy: -76.801
bonds (distance) P-C4' energy: -73.274
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -53.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -950.272466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.272466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.272466 (E_RNA)
where:
Base-Base interactions energy: -597.402
where: short stacking energy: -289.608
Base-Backbone interact. energy: 1.062
local terms energy: -353.932183
where:
bonds (distance) C4'-P energy: -78.759
bonds (distance) P-C4' energy: -81.669
flat angles C4'-P-C4' energy: -72.808
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -66.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -801.578630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.578630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.578630 (E_RNA)
where:
Base-Base interactions energy: -488.160
where: short stacking energy: -245.280
Base-Backbone interact. energy: -0.815
local terms energy: -312.603670
where:
bonds (distance) C4'-P energy: -71.744
bonds (distance) P-C4' energy: -97.471
flat angles C4'-P-C4' energy: -62.919
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -43.000
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -623.294349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.294349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.294349 (E_RNA)
where:
Base-Base interactions energy: -374.671
where: short stacking energy: -202.086
Base-Backbone interact. energy: 1.815
local terms energy: -250.437574
where:
bonds (distance) C4'-P energy: -68.462
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -61.215
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1657.901408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.901408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.901408 (E_RNA)
where:
Base-Base interactions energy: -1146.060
where: short stacking energy: -520.592
Base-Backbone interact. energy: -4.690
local terms energy: -507.151282
where:
bonds (distance) C4'-P energy: -91.118
bonds (distance) P-C4' energy: -91.974
flat angles C4'-P-C4' energy: -101.093
flat angles P-C4'-P energy: -74.077
tors. eta vs tors. theta energy: -148.888
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1579.579917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.579917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.579917 (E_RNA)
where:
Base-Base interactions energy: -1089.672
where: short stacking energy: -439.689
Base-Backbone interact. energy: 4.480
local terms energy: -494.387299
where:
bonds (distance) C4'-P energy: -99.460
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -103.314
flat angles P-C4'-P energy: -70.841
tors. eta vs tors. theta energy: -115.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1572.506262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.506262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.506262 (E_RNA)
where:
Base-Base interactions energy: -1083.104
where: short stacking energy: -475.056
Base-Backbone interact. energy: 1.475
local terms energy: -490.876964
where:
bonds (distance) C4'-P energy: -90.354
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -102.063
flat angles P-C4'-P energy: -66.166
tors. eta vs tors. theta energy: -139.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1465.484472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.484472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.484472 (E_RNA)
where:
Base-Base interactions energy: -1036.835
where: short stacking energy: -433.311
Base-Backbone interact. energy: 3.370
local terms energy: -432.019571
where:
bonds (distance) C4'-P energy: -79.273
bonds (distance) P-C4' energy: -85.483
flat angles C4'-P-C4' energy: -87.964
flat angles P-C4'-P energy: -57.619
tors. eta vs tors. theta energy: -121.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1241.613423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.613423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.613423 (E_RNA)
where:
Base-Base interactions energy: -831.689
where: short stacking energy: -394.507
Base-Backbone interact. energy: -1.172
local terms energy: -408.752158
where:
bonds (distance) C4'-P energy: -68.005
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -91.761
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -107.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1224.906980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.906980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.906980 (E_RNA)
where:
Base-Base interactions energy: -810.607
where: short stacking energy: -370.367
Base-Backbone interact. energy: -3.085
local terms energy: -411.214384
where:
bonds (distance) C4'-P energy: -85.720
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -90.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1033.350410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.350410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.350410 (E_RNA)
where:
Base-Base interactions energy: -702.381
where: short stacking energy: -306.958
Base-Backbone interact. energy: 0.372
local terms energy: -331.340936
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -78.256
flat angles C4'-P-C4' energy: -79.441
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: -62.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -903.213104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.213104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.213104 (E_RNA)
where:
Base-Base interactions energy: -567.143
where: short stacking energy: -258.210
Base-Backbone interact. energy: -2.533
local terms energy: -333.536918
where:
bonds (distance) C4'-P energy: -81.029
bonds (distance) P-C4' energy: -77.431
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -53.030
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: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -734.789397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.789397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.789397 (E_RNA)
where:
Base-Base interactions energy: -453.700
where: short stacking energy: -220.268
Base-Backbone interact. energy: 3.854
local terms energy: -284.942985
where:
bonds (distance) C4'-P energy: -80.861
bonds (distance) P-C4' energy: -72.565
flat angles C4'-P-C4' energy: -56.340
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -614.556576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.556576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.556576 (E_RNA)
where:
Base-Base interactions energy: -329.166
where: short stacking energy: -173.072
Base-Backbone interact. energy: 2.240
local terms energy: -287.630548
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -88.031
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -22.259
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: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1639.247481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.247481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.247481 (E_RNA)
where:
Base-Base interactions energy: -1123.181
where: short stacking energy: -507.758
Base-Backbone interact. energy: -1.832
local terms energy: -514.235379
where:
bonds (distance) C4'-P energy: -96.400
bonds (distance) P-C4' energy: -91.450
flat angles C4'-P-C4' energy: -102.534
flat angles P-C4'-P energy: -73.055
tors. eta vs tors. theta energy: -150.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1591.211084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.211084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.211084 (E_RNA)
where:
Base-Base interactions energy: -1132.667
where: short stacking energy: -450.589
Base-Backbone interact. energy: -2.390
local terms energy: -456.154803
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -96.246
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -69.268
tors. eta vs tors. theta energy: -112.272
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: 244
Temperature: 1.000000
Total energy: -1545.010714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.010714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.010714 (E_RNA)
where:
Base-Base interactions energy: -1073.770
where: short stacking energy: -474.228
Base-Backbone interact. energy: -1.971
local terms energy: -469.269053
where:
bonds (distance) C4'-P energy: -83.908
bonds (distance) P-C4' energy: -91.571
flat angles C4'-P-C4' energy: -93.782
flat angles P-C4'-P energy: -73.181
tors. eta vs tors. theta energy: -126.827
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: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1488.791334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.791334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.791334 (E_RNA)
where:
Base-Base interactions energy: -1019.716
where: short stacking energy: -445.273
Base-Backbone interact. energy: 0.051
local terms energy: -469.126944
where:
bonds (distance) C4'-P energy: -95.765
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -89.203
flat angles P-C4'-P energy: -65.798
tors. eta vs tors. theta energy: -126.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1292.314580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.314580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.314580 (E_RNA)
where:
Base-Base interactions energy: -858.489
where: short stacking energy: -402.814
Base-Backbone interact. energy: 2.026
local terms energy: -435.852067
where:
bonds (distance) C4'-P energy: -85.834
bonds (distance) P-C4' energy: -83.663
flat angles C4'-P-C4' energy: -96.301
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -108.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1235.135452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.135452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.135452 (E_RNA)
where:
Base-Base interactions energy: -836.745
where: short stacking energy: -356.191
Base-Backbone interact. energy: -4.341
local terms energy: -394.049673
where:
bonds (distance) C4'-P energy: -87.412
bonds (distance) P-C4' energy: -71.808
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1078.528232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.528232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.528232 (E_RNA)
where:
Base-Base interactions energy: -720.049
where: short stacking energy: -312.135
Base-Backbone interact. energy: -2.265
local terms energy: -356.214339
where:
bonds (distance) C4'-P energy: -90.292
bonds (distance) P-C4' energy: -82.963
flat angles C4'-P-C4' energy: -75.240
flat angles P-C4'-P energy: -32.261
tors. eta vs tors. theta energy: -75.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -885.563899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.563899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.563899 (E_RNA)
where:
Base-Base interactions energy: -573.942
where: short stacking energy: -264.474
Base-Backbone interact. energy: 0.643
local terms energy: -312.264437
where:
bonds (distance) C4'-P energy: -70.975
bonds (distance) P-C4' energy: -76.745
flat angles C4'-P-C4' energy: -78.362
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: -48.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -766.518610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.518610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.518610 (E_RNA)
where:
Base-Base interactions energy: -479.483
where: short stacking energy: -230.003
Base-Backbone interact. energy: -1.252
local terms energy: -285.782997
where:
bonds (distance) C4'-P energy: -86.441
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -33.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -647.344262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.344262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.344262 (E_RNA)
where:
Base-Base interactions energy: -381.583
where: short stacking energy: -178.722
Base-Backbone interact. energy: -0.688
local terms energy: -265.073567
where:
bonds (distance) C4'-P energy: -68.286
bonds (distance) P-C4' energy: -70.287
flat angles C4'-P-C4' energy: -72.583
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -8.743
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: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1653.876861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.876861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.876861 (E_RNA)
where:
Base-Base interactions energy: -1143.915
where: short stacking energy: -510.240
Base-Backbone interact. energy: -2.478
local terms energy: -507.483718
where:
bonds (distance) C4'-P energy: -87.568
bonds (distance) P-C4' energy: -97.680
flat angles C4'-P-C4' energy: -104.864
flat angles P-C4'-P energy: -77.070
tors. eta vs tors. theta energy: -140.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1604.135232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.135232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.135232 (E_RNA)
where:
Base-Base interactions energy: -1113.742
where: short stacking energy: -498.377
Base-Backbone interact. energy: -0.400
local terms energy: -489.993094
where:
bonds (distance) C4'-P energy: -86.672
bonds (distance) P-C4' energy: -85.661
flat angles C4'-P-C4' energy: -102.432
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -140.529
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: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1559.568745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.568745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.568745 (E_RNA)
where:
Base-Base interactions energy: -1132.946
where: short stacking energy: -446.429
Base-Backbone interact. energy: -0.280
local terms energy: -426.342811
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -83.648
flat angles C4'-P-C4' energy: -90.309
flat angles P-C4'-P energy: -64.778
tors. eta vs tors. theta energy: -111.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1449.635989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.635989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.635989 (E_RNA)
where:
Base-Base interactions energy: -1034.026
where: short stacking energy: -439.524
Base-Backbone interact. energy: 4.969
local terms energy: -420.578990
where:
bonds (distance) C4'-P energy: -79.935
bonds (distance) P-C4' energy: -71.383
flat angles C4'-P-C4' energy: -95.640
flat angles P-C4'-P energy: -55.647
tors. eta vs tors. theta energy: -117.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1293.837025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.837025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.837025 (E_RNA)
where:
Base-Base interactions energy: -854.937
where: short stacking energy: -375.980
Base-Backbone interact. energy: -1.193
local terms energy: -437.707480
where:
bonds (distance) C4'-P energy: -87.267
bonds (distance) P-C4' energy: -85.487
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -59.867
tors. eta vs tors. theta energy: -114.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1226.982496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.982496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.982496 (E_RNA)
where:
Base-Base interactions energy: -846.616
where: short stacking energy: -372.417
Base-Backbone interact. energy: -0.658
local terms energy: -379.708276
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -88.071
flat angles P-C4'-P energy: -51.098
tors. eta vs tors. theta energy: -89.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1032.507441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.507441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.507441 (E_RNA)
where:
Base-Base interactions energy: -689.770
where: short stacking energy: -298.879
Base-Backbone interact. energy: -2.310
local terms energy: -340.427919
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -87.779
flat angles C4'-P-C4' energy: -83.029
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -52.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -887.781504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.781504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.781504 (E_RNA)
where:
Base-Base interactions energy: -563.275
where: short stacking energy: -246.776
Base-Backbone interact. energy: -1.972
local terms energy: -322.534370
where:
bonds (distance) C4'-P energy: -67.452
bonds (distance) P-C4' energy: -73.940
flat angles C4'-P-C4' energy: -76.431
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -50.285
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: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -786.979953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.979953 (E_RNA)
where:
Base-Base interactions energy: -493.125
where: short stacking energy: -255.197
Base-Backbone interact. energy: 2.353
local terms energy: -296.207764
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -93.919
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -32.151
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: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -638.143237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.143237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.143237 (E_RNA)
where:
Base-Base interactions energy: -346.015
where: short stacking energy: -168.654
Base-Backbone interact. energy: -1.285
local terms energy: -290.842535
where:
bonds (distance) C4'-P energy: -76.016
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -85.475
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1588.907725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.907725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.907725 (E_RNA)
where:
Base-Base interactions energy: -1100.728
where: short stacking energy: -480.579
Base-Backbone interact. energy: -2.155
local terms energy: -486.024229
where:
bonds (distance) C4'-P energy: -89.668
bonds (distance) P-C4' energy: -85.753
flat angles C4'-P-C4' energy: -93.690
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: -139.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1598.648018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.648018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.648018 (E_RNA)
where:
Base-Base interactions energy: -1106.697
where: short stacking energy: -496.572
Base-Backbone interact. energy: 1.122
local terms energy: -493.073105
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -101.365
flat angles C4'-P-C4' energy: -105.378
flat angles P-C4'-P energy: -61.068
tors. eta vs tors. theta energy: -134.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1546.379084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.379084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.379084 (E_RNA)
where:
Base-Base interactions energy: -1101.352
where: short stacking energy: -440.393
Base-Backbone interact. energy: 0.858
local terms energy: -445.884886
where:
bonds (distance) C4'-P energy: -82.458
bonds (distance) P-C4' energy: -97.175
flat angles C4'-P-C4' energy: -96.581
flat angles P-C4'-P energy: -63.839
tors. eta vs tors. theta energy: -105.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1467.084413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.084413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.084413 (E_RNA)
where:
Base-Base interactions energy: -1019.171
where: short stacking energy: -463.388
Base-Backbone interact. energy: 1.048
local terms energy: -448.961832
where:
bonds (distance) C4'-P energy: -79.655
bonds (distance) P-C4' energy: -74.614
flat angles C4'-P-C4' energy: -104.572
flat angles P-C4'-P energy: -63.520
tors. eta vs tors. theta energy: -126.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1260.909689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.909689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.909689 (E_RNA)
where:
Base-Base interactions energy: -840.629
where: short stacking energy: -398.511
Base-Backbone interact. energy: 0.675
local terms energy: -420.954938
where:
bonds (distance) C4'-P energy: -85.284
bonds (distance) P-C4' energy: -74.737
flat angles C4'-P-C4' energy: -95.055
flat angles P-C4'-P energy: -56.320
tors. eta vs tors. theta energy: -109.559
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: 246
Temperature: 1.150000
Total energy: -1208.464040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.464040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.464040 (E_RNA)
where:
Base-Base interactions energy: -812.829
where: short stacking energy: -351.376
Base-Backbone interact. energy: -3.050
local terms energy: -392.584808
where:
bonds (distance) C4'-P energy: -70.311
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: -88.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1047.031677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.031677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.031677 (E_RNA)
where:
Base-Base interactions energy: -698.543
where: short stacking energy: -321.226
Base-Backbone interact. energy: 1.655
local terms energy: -350.143220
where:
bonds (distance) C4'-P energy: -75.898
bonds (distance) P-C4' energy: -70.701
flat angles C4'-P-C4' energy: -85.442
flat angles P-C4'-P energy: -49.324
tors. eta vs tors. theta energy: -68.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -881.901100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.901100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.901100 (E_RNA)
where:
Base-Base interactions energy: -544.430
where: short stacking energy: -252.474
Base-Backbone interact. energy: 1.190
local terms energy: -338.661206
where:
bonds (distance) C4'-P energy: -76.091
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -79.377
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -752.608837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.608837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.608837 (E_RNA)
where:
Base-Base interactions energy: -454.456
where: short stacking energy: -227.854
Base-Backbone interact. energy: -2.570
local terms energy: -295.583114
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -56.634
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -636.571767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.571767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.571767 (E_RNA)
where:
Base-Base interactions energy: -371.934
where: short stacking energy: -177.839
Base-Backbone interact. energy: -1.217
local terms energy: -263.420736
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -80.204
flat angles C4'-P-C4' energy: -73.881
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1577.213076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.213076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.213076 (E_RNA)
where:
Base-Base interactions energy: -1091.510
where: short stacking energy: -488.389
Base-Backbone interact. energy: -1.860
local terms energy: -483.843067
where:
bonds (distance) C4'-P energy: -82.506
bonds (distance) P-C4' energy: -90.439
flat angles C4'-P-C4' energy: -99.105
flat angles P-C4'-P energy: -76.459
tors. eta vs tors. theta energy: -135.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1606.836550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.836550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.836550 (E_RNA)
where:
Base-Base interactions energy: -1107.294
where: short stacking energy: -512.908
Base-Backbone interact. energy: -2.828
local terms energy: -496.714666
where:
bonds (distance) C4'-P energy: -84.262
bonds (distance) P-C4' energy: -86.109
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -72.688
tors. eta vs tors. theta energy: -155.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1541.445908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.445908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.445908 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -432.088
Base-Backbone interact. energy: -0.685
local terms energy: -442.094402
where:
bonds (distance) C4'-P energy: -75.092
bonds (distance) P-C4' energy: -100.801
flat angles C4'-P-C4' energy: -84.683
flat angles P-C4'-P energy: -69.847
tors. eta vs tors. theta energy: -111.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1419.899972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.899972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.899972 (E_RNA)
where:
Base-Base interactions energy: -1005.308
where: short stacking energy: -433.820
Base-Backbone interact. energy: -1.061
local terms energy: -413.530296
where:
bonds (distance) C4'-P energy: -72.718
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -92.315
flat angles P-C4'-P energy: -54.868
tors. eta vs tors. theta energy: -120.252
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: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1276.177247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.177247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.177247 (E_RNA)
where:
Base-Base interactions energy: -848.879
where: short stacking energy: -397.423
Base-Backbone interact. energy: 1.359
local terms energy: -428.657356
where:
bonds (distance) C4'-P energy: -75.516
bonds (distance) P-C4' energy: -92.495
flat angles C4'-P-C4' energy: -98.167
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -100.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1212.583011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.583011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.583011 (E_RNA)
where:
Base-Base interactions energy: -816.730
where: short stacking energy: -369.651
Base-Backbone interact. energy: -1.251
local terms energy: -394.601706
where:
bonds (distance) C4'-P energy: -75.207
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -93.496
flat angles P-C4'-P energy: -59.453
tors. eta vs tors. theta energy: -90.153
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1023.228931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.228931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.228931 (E_RNA)
where:
Base-Base interactions energy: -683.259
where: short stacking energy: -291.317
Base-Backbone interact. energy: 0.115
local terms energy: -340.084447
where:
bonds (distance) C4'-P energy: -69.969
bonds (distance) P-C4' energy: -88.902
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -45.448
tors. eta vs tors. theta energy: -47.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -913.431312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.431312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.431312 (E_RNA)
where:
Base-Base interactions energy: -555.629
where: short stacking energy: -276.263
Base-Backbone interact. energy: -0.266
local terms energy: -357.537245
where:
bonds (distance) C4'-P energy: -81.214
bonds (distance) P-C4' energy: -84.203
flat angles C4'-P-C4' energy: -78.263
flat angles P-C4'-P energy: -59.470
tors. eta vs tors. theta energy: -54.387
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -766.673600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.673600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.673600 (E_RNA)
where:
Base-Base interactions energy: -480.115
where: short stacking energy: -218.994
Base-Backbone interact. energy: -0.593
local terms energy: -285.965291
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -61.296
flat angles C4'-P-C4' energy: -85.227
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -35.087
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: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -658.740894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.740894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.740894 (E_RNA)
where:
Base-Base interactions energy: -375.082
where: short stacking energy: -196.791
Base-Backbone interact. energy: 1.111
local terms energy: -284.769704
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -84.613
flat angles C4'-P-C4' energy: -69.090
flat angles P-C4'-P energy: -46.905
tors. eta vs tors. theta energy: -28.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1614.565282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.565282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.565282 (E_RNA)
where:
Base-Base interactions energy: -1100.105
where: short stacking energy: -508.828
Base-Backbone interact. energy: -3.264
local terms energy: -511.196788
where:
bonds (distance) C4'-P energy: -93.362
bonds (distance) P-C4' energy: -94.964
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -84.221
tors. eta vs tors. theta energy: -134.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1602.202237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.202237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.202237 (E_RNA)
where:
Base-Base interactions energy: -1098.261
where: short stacking energy: -489.726
Base-Backbone interact. energy: 0.180
local terms energy: -504.121851
where:
bonds (distance) C4'-P energy: -85.232
bonds (distance) P-C4' energy: -88.491
flat angles C4'-P-C4' energy: -107.290
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -149.008
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: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1520.462294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.462294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.462294 (E_RNA)
where:
Base-Base interactions energy: -1048.786
where: short stacking energy: -454.621
Base-Backbone interact. energy: -1.151
local terms energy: -470.525696
where:
bonds (distance) C4'-P energy: -82.057
bonds (distance) P-C4' energy: -88.652
flat angles C4'-P-C4' energy: -97.884
flat angles P-C4'-P energy: -67.679
tors. eta vs tors. theta energy: -134.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1466.657878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.657878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.657878 (E_RNA)
where:
Base-Base interactions energy: -1051.793
where: short stacking energy: -405.565
Base-Backbone interact. energy: 0.397
local terms energy: -415.262155
where:
bonds (distance) C4'-P energy: -76.462
bonds (distance) P-C4' energy: -88.157
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -104.046
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1306.242140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.242140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.242140 (E_RNA)
where:
Base-Base interactions energy: -888.152
where: short stacking energy: -410.029
Base-Backbone interact. energy: -1.004
local terms energy: -417.086204
where:
bonds (distance) C4'-P energy: -87.203
bonds (distance) P-C4' energy: -85.205
flat angles C4'-P-C4' energy: -90.642
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -96.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1203.075047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.075047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.075047 (E_RNA)
where:
Base-Base interactions energy: -796.023
where: short stacking energy: -354.110
Base-Backbone interact. energy: 4.915
local terms energy: -411.966567
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -83.910
flat angles C4'-P-C4' energy: -88.241
flat angles P-C4'-P energy: -69.497
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: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1030.058086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.058086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.058086 (E_RNA)
where:
Base-Base interactions energy: -679.548
where: short stacking energy: -278.027
Base-Backbone interact. energy: 0.629
local terms energy: -351.139266
where:
bonds (distance) C4'-P energy: -77.422
bonds (distance) P-C4' energy: -92.208
flat angles C4'-P-C4' energy: -78.847
flat angles P-C4'-P energy: -47.277
tors. eta vs tors. theta energy: -55.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -895.124663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.124663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.124663 (E_RNA)
where:
Base-Base interactions energy: -550.186
where: short stacking energy: -265.462
Base-Backbone interact. energy: -2.028
local terms energy: -342.910099
where:
bonds (distance) C4'-P energy: -78.668
bonds (distance) P-C4' energy: -85.122
flat angles C4'-P-C4' energy: -77.466
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -54.632
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: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -728.765290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.765290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.765290 (E_RNA)
where:
Base-Base interactions energy: -468.440
where: short stacking energy: -232.445
Base-Backbone interact. energy: -1.210
local terms energy: -259.114613
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -43.348
tors. eta vs tors. theta energy: -29.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -649.650520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.650520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.650520 (E_RNA)
where:
Base-Base interactions energy: -358.473
where: short stacking energy: -182.756
Base-Backbone interact. energy: -1.592
local terms energy: -289.585599
where:
bonds (distance) C4'-P energy: -78.844
bonds (distance) P-C4' energy: -68.053
flat angles C4'-P-C4' energy: -75.944
flat angles P-C4'-P energy: -41.476
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1596.201957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.201957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.201957 (E_RNA)
where:
Base-Base interactions energy: -1105.483
where: short stacking energy: -474.369
Base-Backbone interact. energy: -4.412
local terms energy: -486.306534
where:
bonds (distance) C4'-P energy: -98.956
bonds (distance) P-C4' energy: -92.772
flat angles C4'-P-C4' energy: -94.256
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -131.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1567.769638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.769638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.769638 (E_RNA)
where:
Base-Base interactions energy: -1099.684
where: short stacking energy: -498.142
Base-Backbone interact. energy: -1.756
local terms energy: -466.329591
where:
bonds (distance) C4'-P energy: -86.605
bonds (distance) P-C4' energy: -79.512
flat angles C4'-P-C4' energy: -99.949
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -130.796
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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1480.258934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.258934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.258934 (E_RNA)
where:
Base-Base interactions energy: -998.969
where: short stacking energy: -429.687
Base-Backbone interact. energy: -1.172
local terms energy: -480.118185
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -96.134
flat angles C4'-P-C4' energy: -103.492
flat angles P-C4'-P energy: -68.311
tors. eta vs tors. theta energy: -125.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1469.998752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.998752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.998752 (E_RNA)
where:
Base-Base interactions energy: -1039.647
where: short stacking energy: -410.350
Base-Backbone interact. energy: -3.039
local terms energy: -427.313380
where:
bonds (distance) C4'-P energy: -84.320
bonds (distance) P-C4' energy: -78.101
flat angles C4'-P-C4' energy: -85.936
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -106.882
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: 249
Temperature: 1.100000
Total energy: -1270.472623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.472623 (E_RNA)
where:
Base-Base interactions energy: -820.650
where: short stacking energy: -383.123
Base-Backbone interact. energy: -2.290
local terms energy: -447.531834
where:
bonds (distance) C4'-P energy: -83.510
bonds (distance) P-C4' energy: -98.602
flat angles C4'-P-C4' energy: -102.917
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -108.519
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: 249
Temperature: 1.150000
Total energy: -1206.415759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.415759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.415759 (E_RNA)
where:
Base-Base interactions energy: -799.816
where: short stacking energy: -379.418
Base-Backbone interact. energy: -2.203
local terms energy: -404.395960
where:
bonds (distance) C4'-P energy: -77.002
bonds (distance) P-C4' energy: -83.491
flat angles C4'-P-C4' energy: -77.972
flat angles P-C4'-P energy: -64.395
tors. eta vs tors. theta energy: -101.537
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: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1062.417077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.417077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.417077 (E_RNA)
where:
Base-Base interactions energy: -716.709
where: short stacking energy: -308.757
Base-Backbone interact. energy: -2.368
local terms energy: -343.340306
where:
bonds (distance) C4'-P energy: -73.755
bonds (distance) P-C4' energy: -70.771
flat angles C4'-P-C4' energy: -80.524
flat angles P-C4'-P energy: -60.388
tors. eta vs tors. theta energy: -57.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -879.889403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.889403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.889403 (E_RNA)
where:
Base-Base interactions energy: -541.839
where: short stacking energy: -261.972
Base-Backbone interact. energy: 4.603
local terms energy: -342.654198
where:
bonds (distance) C4'-P energy: -87.115
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -84.253
flat angles P-C4'-P energy: -50.058
tors. eta vs tors. theta energy: -55.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -725.448932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.448932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.448932 (E_RNA)
where:
Base-Base interactions energy: -445.586
where: short stacking energy: -231.216
Base-Backbone interact. energy: 5.482
local terms energy: -285.344764
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: -35.034
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -637.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.229682 (E_RNA)
where:
Base-Base interactions energy: -354.731
where: short stacking energy: -185.925
Base-Backbone interact. energy: 2.562
local terms energy: -285.060569
where:
bonds (distance) C4'-P energy: -68.825
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -69.798
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1622.594912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.594912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.594912 (E_RNA)
where:
Base-Base interactions energy: -1113.242
where: short stacking energy: -469.278
Base-Backbone interact. energy: -1.241
local terms energy: -508.112370
where:
bonds (distance) C4'-P energy: -89.811
bonds (distance) P-C4' energy: -101.690
flat angles C4'-P-C4' energy: -103.579
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -137.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1588.228066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.228066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.228066 (E_RNA)
where:
Base-Base interactions energy: -1084.068
where: short stacking energy: -501.964
Base-Backbone interact. energy: -0.400
local terms energy: -503.760665
where:
bonds (distance) C4'-P energy: -94.210
bonds (distance) P-C4' energy: -91.922
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -73.708
tors. eta vs tors. theta energy: -138.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1490.096641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.096641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.096641 (E_RNA)
where:
Base-Base interactions energy: -1027.908
where: short stacking energy: -463.015
Base-Backbone interact. energy: -1.295
local terms energy: -460.893569
where:
bonds (distance) C4'-P energy: -97.353
bonds (distance) P-C4' energy: -79.803
flat angles C4'-P-C4' energy: -96.004
flat angles P-C4'-P energy: -65.194
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: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1517.810600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.810600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.810600 (E_RNA)
where:
Base-Base interactions energy: -1079.584
where: short stacking energy: -431.415
Base-Backbone interact. energy: -2.133
local terms energy: -436.093643
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -96.400
flat angles P-C4'-P energy: -58.323
tors. eta vs tors. theta energy: -116.575
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: 250
Temperature: 1.100000
Total energy: -1302.768982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.768982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.768982 (E_RNA)
where:
Base-Base interactions energy: -872.742
where: short stacking energy: -414.791
Base-Backbone interact. energy: -1.102
local terms energy: -428.924586
where:
bonds (distance) C4'-P energy: -78.956
bonds (distance) P-C4' energy: -90.823
flat angles C4'-P-C4' energy: -97.042
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -106.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1227.216991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.216991 (E_RNA)
where:
Base-Base interactions energy: -856.261
where: short stacking energy: -389.131
Base-Backbone interact. energy: -0.398
local terms energy: -370.557696
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -78.460
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -55.966
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: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1062.604922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.604922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.604922 (E_RNA)
where:
Base-Base interactions energy: -725.191
where: short stacking energy: -304.958
Base-Backbone interact. energy: -0.797
local terms energy: -336.616540
where:
bonds (distance) C4'-P energy: -79.554
bonds (distance) P-C4' energy: -71.109
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -68.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -869.312106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.312106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.312106 (E_RNA)
where:
Base-Base interactions energy: -557.119
where: short stacking energy: -285.363
Base-Backbone interact. energy: -2.946
local terms energy: -309.246835
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -55.298
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -50.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -715.239168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.239168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.239168 (E_RNA)
where:
Base-Base interactions energy: -419.636
where: short stacking energy: -209.747
Base-Backbone interact. energy: 1.143
local terms energy: -296.745940
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -74.582
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -41.137
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -678.137370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.137370 (E_RNA)
where:
Base-Base interactions energy: -400.468
where: short stacking energy: -211.495
Base-Backbone interact. energy: 3.321
local terms energy: -280.990526
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -70.160
flat angles C4'-P-C4' energy: -73.846
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1622.131083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.131083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.131083 (E_RNA)
where:
Base-Base interactions energy: -1116.414
where: short stacking energy: -493.288
Base-Backbone interact. energy: -0.950
local terms energy: -504.767169
where:
bonds (distance) C4'-P energy: -88.301
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -107.545
flat angles P-C4'-P energy: -73.082
tors. eta vs tors. theta energy: -141.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1538.413860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.413860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.413860 (E_RNA)
where:
Base-Base interactions energy: -1048.650
where: short stacking energy: -464.795
Base-Backbone interact. energy: -4.446
local terms energy: -485.317153
where:
bonds (distance) C4'-P energy: -85.437
bonds (distance) P-C4' energy: -84.547
flat angles C4'-P-C4' energy: -102.565
flat angles P-C4'-P energy: -79.018
tors. eta vs tors. theta energy: -133.750
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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1551.730470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.730470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.730470 (E_RNA)
where:
Base-Base interactions energy: -1076.047
where: short stacking energy: -485.173
Base-Backbone interact. energy: -0.873
local terms energy: -474.810893
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -66.259
tors. eta vs tors. theta energy: -133.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1507.022472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.022472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.022472 (E_RNA)
where:
Base-Base interactions energy: -1072.709
where: short stacking energy: -424.114
Base-Backbone interact. energy: 2.097
local terms energy: -436.410040
where:
bonds (distance) C4'-P energy: -81.508
bonds (distance) P-C4' energy: -91.947
flat angles C4'-P-C4' energy: -99.392
flat angles P-C4'-P energy: -55.133
tors. eta vs tors. theta energy: -108.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1284.692559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.692559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.692559 (E_RNA)
where:
Base-Base interactions energy: -846.119
where: short stacking energy: -396.910
Base-Backbone interact. energy: 3.406
local terms energy: -441.979570
where:
bonds (distance) C4'-P energy: -87.137
bonds (distance) P-C4' energy: -91.535
flat angles C4'-P-C4' energy: -94.098
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -115.883
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1249.241991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.241991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.241991 (E_RNA)
where:
Base-Base interactions energy: -831.211
where: short stacking energy: -403.681
Base-Backbone interact. energy: -1.569
local terms energy: -416.462117
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -82.461
flat angles C4'-P-C4' energy: -88.220
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -114.851
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: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1060.877692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.877692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.877692 (E_RNA)
where:
Base-Base interactions energy: -732.206
where: short stacking energy: -316.729
Base-Backbone interact. energy: -0.192
local terms energy: -328.479621
where:
bonds (distance) C4'-P energy: -71.023
bonds (distance) P-C4' energy: -73.246
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: -60.731
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -870.202180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.202180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.202180 (E_RNA)
where:
Base-Base interactions energy: -547.458
where: short stacking energy: -252.067
Base-Backbone interact. energy: -2.622
local terms energy: -320.121963
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -93.025
flat angles C4'-P-C4' energy: -67.795
flat angles P-C4'-P energy: -64.407
tors. eta vs tors. theta energy: -46.549
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: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -678.242607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.242607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.242607 (E_RNA)
where:
Base-Base interactions energy: -381.914
where: short stacking energy: -197.567
Base-Backbone interact. energy: -1.098
local terms energy: -295.231133
where:
bonds (distance) C4'-P energy: -71.482
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -28.781
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -611.140950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.140950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.140950 (E_RNA)
where:
Base-Base interactions energy: -336.094
where: short stacking energy: -170.469
Base-Backbone interact. energy: 5.901
local terms energy: -280.947494
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -87.804
flat angles C4'-P-C4' energy: -82.470
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1610.628604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.628604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.628604 (E_RNA)
where:
Base-Base interactions energy: -1104.866
where: short stacking energy: -485.836
Base-Backbone interact. energy: 2.260
local terms energy: -508.022608
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -99.364
flat angles C4'-P-C4' energy: -106.248
flat angles P-C4'-P energy: -80.361
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: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1535.128646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.128646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.128646 (E_RNA)
where:
Base-Base interactions energy: -1061.136
where: short stacking energy: -450.084
Base-Backbone interact. energy: -1.194
local terms energy: -472.799254
where:
bonds (distance) C4'-P energy: -89.087
bonds (distance) P-C4' energy: -92.415
flat angles C4'-P-C4' energy: -94.693
flat angles P-C4'-P energy: -67.036
tors. eta vs tors. theta energy: -129.567
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: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1513.452111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.452111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.452111 (E_RNA)
where:
Base-Base interactions energy: -1062.898
where: short stacking energy: -434.532
Base-Backbone interact. energy: 0.300
local terms energy: -450.854215
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -89.091
flat angles C4'-P-C4' energy: -100.233
flat angles P-C4'-P energy: -62.605
tors. eta vs tors. theta energy: -118.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1528.649098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.649098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.649098 (E_RNA)
where:
Base-Base interactions energy: -1067.957
where: short stacking energy: -462.524
Base-Backbone interact. energy: -1.540
local terms energy: -459.152109
where:
bonds (distance) C4'-P energy: -86.641
bonds (distance) P-C4' energy: -86.291
flat angles C4'-P-C4' energy: -95.507
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -134.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1327.901814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.901814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.901814 (E_RNA)
where:
Base-Base interactions energy: -900.551
where: short stacking energy: -405.071
Base-Backbone interact. energy: -0.534
local terms energy: -426.817567
where:
bonds (distance) C4'-P energy: -76.094
bonds (distance) P-C4' energy: -80.893
flat angles C4'-P-C4' energy: -96.355
flat angles P-C4'-P energy: -56.014
tors. eta vs tors. theta energy: -117.463
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: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1254.109131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.109131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.109131 (E_RNA)
where:
Base-Base interactions energy: -866.990
where: short stacking energy: -385.156
Base-Backbone interact. energy: -2.878
local terms energy: -384.241257
where:
bonds (distance) C4'-P energy: -76.664
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -74.120
flat angles P-C4'-P energy: -66.590
tors. eta vs tors. theta energy: -85.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1050.171214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.171214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.171214 (E_RNA)
where:
Base-Base interactions energy: -709.498
where: short stacking energy: -320.959
Base-Backbone interact. energy: -1.053
local terms energy: -339.619574
where:
bonds (distance) C4'-P energy: -64.278
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -86.177
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -875.983193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.983193 (E_RNA)
where:
Base-Base interactions energy: -558.129
where: short stacking energy: -270.347
Base-Backbone interact. energy: -1.141
local terms energy: -316.712803
where:
bonds (distance) C4'-P energy: -57.999
bonds (distance) P-C4' energy: -73.291
flat angles C4'-P-C4' energy: -78.631
flat angles P-C4'-P energy: -56.003
tors. eta vs tors. theta energy: -50.789
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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -677.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.359970 (E_RNA)
where:
Base-Base interactions energy: -371.061
where: short stacking energy: -199.985
Base-Backbone interact. energy: -1.524
local terms energy: -304.774493
where:
bonds (distance) C4'-P energy: -76.980
bonds (distance) P-C4' energy: -79.795
flat angles C4'-P-C4' energy: -79.229
flat angles P-C4'-P energy: -46.126
tors. eta vs tors. theta energy: -22.644
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -528.248689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.248689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.248689 (E_RNA)
where:
Base-Base interactions energy: -284.561
where: short stacking energy: -160.682
Base-Backbone interact. energy: 2.570
local terms energy: -246.257893
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -78.359
flat angles C4'-P-C4' energy: -61.889
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1623.397100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.397100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.397100 (E_RNA)
where:
Base-Base interactions energy: -1137.445
where: short stacking energy: -515.554
Base-Backbone interact. energy: -1.752
local terms energy: -484.199780
where:
bonds (distance) C4'-P energy: -87.819
bonds (distance) P-C4' energy: -87.863
flat angles C4'-P-C4' energy: -101.358
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -141.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1585.906240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.906240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.906240 (E_RNA)
where:
Base-Base interactions energy: -1125.117
where: short stacking energy: -438.414
Base-Backbone interact. energy: -4.165
local terms energy: -456.624989
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -94.502
flat angles C4'-P-C4' energy: -95.602
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -120.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1491.027036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.027036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.027036 (E_RNA)
where:
Base-Base interactions energy: -1038.320
where: short stacking energy: -450.803
Base-Backbone interact. energy: 9.252
local terms energy: -461.959378
where:
bonds (distance) C4'-P energy: -79.174
bonds (distance) P-C4' energy: -89.267
flat angles C4'-P-C4' energy: -102.489
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -128.909
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1510.567797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.567797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.567797 (E_RNA)
where:
Base-Base interactions energy: -1047.017
where: short stacking energy: -473.046
Base-Backbone interact. energy: -1.883
local terms energy: -461.667061
where:
bonds (distance) C4'-P energy: -69.181
bonds (distance) P-C4' energy: -92.195
flat angles C4'-P-C4' energy: -98.743
flat angles P-C4'-P energy: -67.041
tors. eta vs tors. theta energy: -134.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1303.991212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.991212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.991212 (E_RNA)
where:
Base-Base interactions energy: -896.310
where: short stacking energy: -402.901
Base-Backbone interact. energy: -3.113
local terms energy: -404.568818
where:
bonds (distance) C4'-P energy: -90.957
bonds (distance) P-C4' energy: -69.384
flat angles C4'-P-C4' energy: -92.468
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -111.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1247.172105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.172105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.172105 (E_RNA)
where:
Base-Base interactions energy: -841.941
where: short stacking energy: -377.412
Base-Backbone interact. energy: 1.947
local terms energy: -407.178109
where:
bonds (distance) C4'-P energy: -88.064
bonds (distance) P-C4' energy: -86.327
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -67.736
tors. eta vs tors. theta energy: -87.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1096.057380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.057380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.057380 (E_RNA)
where:
Base-Base interactions energy: -729.804
where: short stacking energy: -333.327
Base-Backbone interact. energy: -4.107
local terms energy: -362.146437
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -67.185
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: -78.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -898.995210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.995210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.995210 (E_RNA)
where:
Base-Base interactions energy: -569.456
where: short stacking energy: -278.053
Base-Backbone interact. energy: -0.990
local terms energy: -328.549604
where:
bonds (distance) C4'-P energy: -68.776
bonds (distance) P-C4' energy: -87.654
flat angles C4'-P-C4' energy: -77.788
flat angles P-C4'-P energy: -46.038
tors. eta vs tors. theta energy: -48.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -714.538404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.538404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.538404 (E_RNA)
where:
Base-Base interactions energy: -392.529
where: short stacking energy: -201.073
Base-Backbone interact. energy: -1.932
local terms energy: -320.077265
where:
bonds (distance) C4'-P energy: -73.094
bonds (distance) P-C4' energy: -73.617
flat angles C4'-P-C4' energy: -80.384
flat angles P-C4'-P energy: -63.184
tors. eta vs tors. theta energy: -29.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -541.131021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.131021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.131021 (E_RNA)
where:
Base-Base interactions energy: -276.817
where: short stacking energy: -163.033
Base-Backbone interact. energy: -0.774
local terms energy: -263.540064
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1619.453840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.453840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.453840 (E_RNA)
where:
Base-Base interactions energy: -1111.412
where: short stacking energy: -505.858
Base-Backbone interact. energy: -3.067
local terms energy: -504.975168
where:
bonds (distance) C4'-P energy: -95.533
bonds (distance) P-C4' energy: -84.217
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -77.536
tors. eta vs tors. theta energy: -139.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1599.563578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.563578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.563578 (E_RNA)
where:
Base-Base interactions energy: -1140.591
where: short stacking energy: -440.244
Base-Backbone interact. energy: -1.286
local terms energy: -457.686312
where:
bonds (distance) C4'-P energy: -86.282
bonds (distance) P-C4' energy: -92.992
flat angles C4'-P-C4' energy: -103.690
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -112.871
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1548.777586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.777586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.777586 (E_RNA)
where:
Base-Base interactions energy: -1050.149
where: short stacking energy: -488.607
Base-Backbone interact. energy: -2.376
local terms energy: -496.252171
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -90.828
flat angles C4'-P-C4' energy: -112.296
flat angles P-C4'-P energy: -61.190
tors. eta vs tors. theta energy: -142.923
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: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1463.419976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.419976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.419976 (E_RNA)
where:
Base-Base interactions energy: -1006.656
where: short stacking energy: -420.173
Base-Backbone interact. energy: -3.808
local terms energy: -452.955837
where:
bonds (distance) C4'-P energy: -80.431
bonds (distance) P-C4' energy: -80.359
flat angles C4'-P-C4' energy: -98.386
flat angles P-C4'-P energy: -70.161
tors. eta vs tors. theta energy: -123.618
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: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1338.422631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.422631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.422631 (E_RNA)
where:
Base-Base interactions energy: -898.873
where: short stacking energy: -431.469
Base-Backbone interact. energy: 4.869
local terms energy: -444.419218
where:
bonds (distance) C4'-P energy: -75.306
bonds (distance) P-C4' energy: -76.986
flat angles C4'-P-C4' energy: -103.709
flat angles P-C4'-P energy: -66.140
tors. eta vs tors. theta energy: -122.277
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: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1220.934366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.934366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.934366 (E_RNA)
where:
Base-Base interactions energy: -826.088
where: short stacking energy: -374.137
Base-Backbone interact. energy: -3.353
local terms energy: -391.493268
where:
bonds (distance) C4'-P energy: -73.194
bonds (distance) P-C4' energy: -90.773
flat angles C4'-P-C4' energy: -87.323
flat angles P-C4'-P energy: -48.511
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: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1060.849599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.849599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.849599 (E_RNA)
where:
Base-Base interactions energy: -693.801
where: short stacking energy: -311.592
Base-Backbone interact. energy: -1.213
local terms energy: -365.835376
where:
bonds (distance) C4'-P energy: -78.400
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -69.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -996.268137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.268137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.268137 (E_RNA)
where:
Base-Base interactions energy: -640.247
where: short stacking energy: -307.059
Base-Backbone interact. energy: -1.523
local terms energy: -354.497890
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -83.436
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -60.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -744.807141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.807141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.807141 (E_RNA)
where:
Base-Base interactions energy: -433.143
where: short stacking energy: -230.744
Base-Backbone interact. energy: -1.439
local terms energy: -310.224852
where:
bonds (distance) C4'-P energy: -74.890
bonds (distance) P-C4' energy: -70.803
flat angles C4'-P-C4' energy: -73.120
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -49.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -608.975518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.975518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.975518 (E_RNA)
where:
Base-Base interactions energy: -349.743
where: short stacking energy: -174.734
Base-Backbone interact. energy: 1.350
local terms energy: -260.582657
where:
bonds (distance) C4'-P energy: -68.988
bonds (distance) P-C4' energy: -75.227
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -20.023
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1624.858792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.858792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.858792 (E_RNA)
where:
Base-Base interactions energy: -1101.920
where: short stacking energy: -509.568
Base-Backbone interact. energy: -2.757
local terms energy: -520.182548
where:
bonds (distance) C4'-P energy: -92.533
bonds (distance) P-C4' energy: -93.685
flat angles C4'-P-C4' energy: -111.710
flat angles P-C4'-P energy: -75.239
tors. eta vs tors. theta energy: -147.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1613.742074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.742074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.742074 (E_RNA)
where:
Base-Base interactions energy: -1159.430
where: short stacking energy: -460.323
Base-Backbone interact. energy: -4.089
local terms energy: -450.223244
where:
bonds (distance) C4'-P energy: -90.271
bonds (distance) P-C4' energy: -70.638
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -62.142
tors. eta vs tors. theta energy: -121.844
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1568.552337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.552337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.552337 (E_RNA)
where:
Base-Base interactions energy: -1087.134
where: short stacking energy: -492.330
Base-Backbone interact. energy: -1.806
local terms energy: -479.612112
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -97.139
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -151.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1478.957880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.957880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.957880 (E_RNA)
where:
Base-Base interactions energy: -1025.603
where: short stacking energy: -448.695
Base-Backbone interact. energy: 0.072
local terms energy: -453.426919
where:
bonds (distance) C4'-P energy: -84.281
bonds (distance) P-C4' energy: -88.806
flat angles C4'-P-C4' energy: -97.991
flat angles P-C4'-P energy: -69.038
tors. eta vs tors. theta energy: -113.311
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1322.367928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.367928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.367928 (E_RNA)
where:
Base-Base interactions energy: -910.430
where: short stacking energy: -409.985
Base-Backbone interact. energy: 0.149
local terms energy: -412.086915
where:
bonds (distance) C4'-P energy: -80.621
bonds (distance) P-C4' energy: -84.787
flat angles C4'-P-C4' energy: -94.234
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -109.559
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1221.709872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.709872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.709872 (E_RNA)
where:
Base-Base interactions energy: -839.058
where: short stacking energy: -364.853
Base-Backbone interact. energy: -2.800
local terms energy: -379.852176
where:
bonds (distance) C4'-P energy: -69.247
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -76.043
flat angles P-C4'-P energy: -64.928
tors. eta vs tors. theta energy: -87.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1032.959405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.959405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.959405 (E_RNA)
where:
Base-Base interactions energy: -675.857
where: short stacking energy: -280.194
Base-Backbone interact. energy: -3.032
local terms energy: -354.071134
where:
bonds (distance) C4'-P energy: -75.524
bonds (distance) P-C4' energy: -78.379
flat angles C4'-P-C4' energy: -78.956
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -62.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -908.439089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.439089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.439089 (E_RNA)
where:
Base-Base interactions energy: -577.405
where: short stacking energy: -282.430
Base-Backbone interact. energy: -0.313
local terms energy: -330.721328
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -63.522
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -60.563
tors. eta vs tors. theta energy: -61.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -737.826450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.826450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.826450 (E_RNA)
where:
Base-Base interactions energy: -452.743
where: short stacking energy: -231.911
Base-Backbone interact. energy: 0.622
local terms energy: -285.705939
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -69.999
flat angles C4'-P-C4' energy: -84.589
flat angles P-C4'-P energy: -38.833
tors. eta vs tors. theta energy: -26.802
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: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -553.179034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.179034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.179034 (E_RNA)
where:
Base-Base interactions energy: -288.133
where: short stacking energy: -154.167
Base-Backbone interact. energy: -0.369
local terms energy: -264.676606
where:
bonds (distance) C4'-P energy: -60.571
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1616.376091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.376091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.376091 (E_RNA)
where:
Base-Base interactions energy: -1150.181
where: short stacking energy: -461.951
Base-Backbone interact. energy: -3.719
local terms energy: -462.475863
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -96.382
flat angles C4'-P-C4' energy: -99.334
flat angles P-C4'-P energy: -62.898
tors. eta vs tors. theta energy: -121.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1609.320210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.320210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.320210 (E_RNA)
where:
Base-Base interactions energy: -1092.192
where: short stacking energy: -505.923
Base-Backbone interact. energy: -0.428
local terms energy: -516.699692
where:
bonds (distance) C4'-P energy: -90.308
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -110.275
flat angles P-C4'-P energy: -75.500
tors. eta vs tors. theta energy: -142.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1561.845778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.845778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.845778 (E_RNA)
where:
Base-Base interactions energy: -1064.271
where: short stacking energy: -486.029
Base-Backbone interact. energy: -2.568
local terms energy: -495.006617
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -90.278
flat angles C4'-P-C4' energy: -115.291
flat angles P-C4'-P energy: -74.239
tors. eta vs tors. theta energy: -140.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1475.347440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.347440 (E_RNA)
where:
Base-Base interactions energy: -1031.566
where: short stacking energy: -443.560
Base-Backbone interact. energy: -1.750
local terms energy: -442.031449
where:
bonds (distance) C4'-P energy: -77.268
bonds (distance) P-C4' energy: -79.444
flat angles C4'-P-C4' energy: -99.525
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -124.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1239.683461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.683461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.683461 (E_RNA)
where:
Base-Base interactions energy: -813.516
where: short stacking energy: -388.895
Base-Backbone interact. energy: 0.530
local terms energy: -426.697342
where:
bonds (distance) C4'-P energy: -91.322
bonds (distance) P-C4' energy: -85.232
flat angles C4'-P-C4' energy: -91.349
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -112.576
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: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1248.727266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.727266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.727266 (E_RNA)
where:
Base-Base interactions energy: -835.485
where: short stacking energy: -367.082
Base-Backbone interact. energy: -1.920
local terms energy: -411.321997
where:
bonds (distance) C4'-P energy: -69.362
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -95.643
flat angles P-C4'-P energy: -70.488
tors. eta vs tors. theta energy: -90.338
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: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1086.452404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.452404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.452404 (E_RNA)
where:
Base-Base interactions energy: -700.281
where: short stacking energy: -310.229
Base-Backbone interact. energy: -1.808
local terms energy: -384.363259
where:
bonds (distance) C4'-P energy: -75.871
bonds (distance) P-C4' energy: -90.669
flat angles C4'-P-C4' energy: -80.736
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -88.593
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: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1011.507735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.507735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.507735 (E_RNA)
where:
Base-Base interactions energy: -689.229
where: short stacking energy: -295.423
Base-Backbone interact. energy: 0.974
local terms energy: -323.252482
where:
bonds (distance) C4'-P energy: -66.539
bonds (distance) P-C4' energy: -75.300
flat angles C4'-P-C4' energy: -82.890
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -56.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -748.069183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.069183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.069183 (E_RNA)
where:
Base-Base interactions energy: -449.495
where: short stacking energy: -223.788
Base-Backbone interact. energy: 2.792
local terms energy: -301.366697
where:
bonds (distance) C4'-P energy: -73.650
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -77.382
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -39.108
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: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -537.871294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.871294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.871294 (E_RNA)
where:
Base-Base interactions energy: -272.466
where: short stacking energy: -164.974
Base-Backbone interact. energy: -1.862
local terms energy: -263.542999
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -79.320
flat angles C4'-P-C4' energy: -68.160
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1627.377240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.377240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.377240 (E_RNA)
where:
Base-Base interactions energy: -1161.640
where: short stacking energy: -459.626
Base-Backbone interact. energy: -3.636
local terms energy: -462.101742
where:
bonds (distance) C4'-P energy: -91.320
bonds (distance) P-C4' energy: -85.056
flat angles C4'-P-C4' energy: -103.751
flat angles P-C4'-P energy: -63.116
tors. eta vs tors. theta energy: -118.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1612.847381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.847381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.847381 (E_RNA)
where:
Base-Base interactions energy: -1097.484
where: short stacking energy: -490.329
Base-Backbone interact. energy: -3.631
local terms energy: -511.732353
where:
bonds (distance) C4'-P energy: -92.357
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -105.421
flat angles P-C4'-P energy: -77.791
tors. eta vs tors. theta energy: -144.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1559.567011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.567011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.567011 (E_RNA)
where:
Base-Base interactions energy: -1063.169
where: short stacking energy: -469.594
Base-Backbone interact. energy: 0.575
local terms energy: -496.972990
where:
bonds (distance) C4'-P energy: -99.174
bonds (distance) P-C4' energy: -74.584
flat angles C4'-P-C4' energy: -106.658
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -137.370
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: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1441.494241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.494241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.494241 (E_RNA)
where:
Base-Base interactions energy: -1005.800
where: short stacking energy: -423.035
Base-Backbone interact. energy: -1.144
local terms energy: -434.550335
where:
bonds (distance) C4'-P energy: -81.593
bonds (distance) P-C4' energy: -79.378
flat angles C4'-P-C4' energy: -96.973
flat angles P-C4'-P energy: -58.463
tors. eta vs tors. theta energy: -118.144
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: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1276.727306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.727306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.727306 (E_RNA)
where:
Base-Base interactions energy: -842.647
where: short stacking energy: -398.017
Base-Backbone interact. energy: -3.050
local terms energy: -431.030482
where:
bonds (distance) C4'-P energy: -84.476
bonds (distance) P-C4' energy: -91.320
flat angles C4'-P-C4' energy: -90.083
flat angles P-C4'-P energy: -56.298
tors. eta vs tors. theta energy: -108.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1298.408267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.408267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.408267 (E_RNA)
where:
Base-Base interactions energy: -876.382
where: short stacking energy: -384.928
Base-Backbone interact. energy: -1.903
local terms energy: -420.122830
where:
bonds (distance) C4'-P energy: -71.571
bonds (distance) P-C4' energy: -91.646
flat angles C4'-P-C4' energy: -90.008
flat angles P-C4'-P energy: -62.447
tors. eta vs tors. theta energy: -104.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1015.146437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.146437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.146437 (E_RNA)
where:
Base-Base interactions energy: -652.621
where: short stacking energy: -309.666
Base-Backbone interact. energy: -0.449
local terms energy: -362.076494
where:
bonds (distance) C4'-P energy: -77.468
bonds (distance) P-C4' energy: -73.862
flat angles C4'-P-C4' energy: -88.548
flat angles P-C4'-P energy: -61.901
tors. eta vs tors. theta energy: -60.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1011.805918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.805918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.805918 (E_RNA)
where:
Base-Base interactions energy: -656.910
where: short stacking energy: -298.557
Base-Backbone interact. energy: -2.288
local terms energy: -352.607581
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -65.410
flat angles C4'-P-C4' energy: -74.896
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -64.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -690.766161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.766161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.766161 (E_RNA)
where:
Base-Base interactions energy: -393.959
where: short stacking energy: -197.008
Base-Backbone interact. energy: 2.279
local terms energy: -299.085307
where:
bonds (distance) C4'-P energy: -70.745
bonds (distance) P-C4' energy: -74.577
flat angles C4'-P-C4' energy: -84.601
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -31.295
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -474.648186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.648186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.648186 (E_RNA)
where:
Base-Base interactions energy: -212.942
where: short stacking energy: -123.579
Base-Backbone interact. energy: -2.807
local terms energy: -258.899069
where:
bonds (distance) C4'-P energy: -61.713
bonds (distance) P-C4' energy: -82.286
flat angles C4'-P-C4' energy: -77.321
flat angles P-C4'-P energy: -53.892
tors. eta vs tors. theta energy: 16.314
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1654.820995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.820995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.820995 (E_RNA)
where:
Base-Base interactions energy: -1147.911
where: short stacking energy: -507.326
Base-Backbone interact. energy: -0.167
local terms energy: -506.743185
where:
bonds (distance) C4'-P energy: -98.588
bonds (distance) P-C4' energy: -73.414
flat angles C4'-P-C4' energy: -108.736
flat angles P-C4'-P energy: -79.918
tors. eta vs tors. theta energy: -146.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1636.809643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.809643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.809643 (E_RNA)
where:
Base-Base interactions energy: -1162.878
where: short stacking energy: -444.984
Base-Backbone interact. energy: -2.755
local terms energy: -471.176068
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -89.340
flat angles C4'-P-C4' energy: -99.982
flat angles P-C4'-P energy: -74.251
tors. eta vs tors. theta energy: -117.955
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: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1547.923756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.923756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.923756 (E_RNA)
where:
Base-Base interactions energy: -1083.556
where: short stacking energy: -481.735
Base-Backbone interact. energy: -0.780
local terms energy: -463.587080
where:
bonds (distance) C4'-P energy: -89.835
bonds (distance) P-C4' energy: -78.414
flat angles C4'-P-C4' energy: -95.529
flat angles P-C4'-P energy: -60.933
tors. eta vs tors. theta energy: -138.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1455.059037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.059037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.059037 (E_RNA)
where:
Base-Base interactions energy: -1018.406
where: short stacking energy: -413.490
Base-Backbone interact. energy: 0.098
local terms energy: -436.750834
where:
bonds (distance) C4'-P energy: -75.696
bonds (distance) P-C4' energy: -85.723
flat angles C4'-P-C4' energy: -92.922
flat angles P-C4'-P energy: -68.415
tors. eta vs tors. theta energy: -113.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1299.318594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.318594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.318594 (E_RNA)
where:
Base-Base interactions energy: -875.381
where: short stacking energy: -410.694
Base-Backbone interact. energy: -1.407
local terms energy: -422.530579
where:
bonds (distance) C4'-P energy: -85.632
bonds (distance) P-C4' energy: -86.713
flat angles C4'-P-C4' energy: -100.665
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: -103.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1292.633883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.633883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.633883 (E_RNA)
where:
Base-Base interactions energy: -887.894
where: short stacking energy: -413.439
Base-Backbone interact. energy: -2.838
local terms energy: -401.902591
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -67.823
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -59.840
tors. eta vs tors. theta energy: -114.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1012.751277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.751277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.751277 (E_RNA)
where:
Base-Base interactions energy: -671.070
where: short stacking energy: -303.875
Base-Backbone interact. energy: -1.856
local terms energy: -339.825067
where:
bonds (distance) C4'-P energy: -80.031
bonds (distance) P-C4' energy: -66.890
flat angles C4'-P-C4' energy: -81.131
flat angles P-C4'-P energy: -56.532
tors. eta vs tors. theta energy: -55.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1034.753679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.753679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.753679 (E_RNA)
where:
Base-Base interactions energy: -662.010
where: short stacking energy: -313.910
Base-Backbone interact. energy: -1.537
local terms energy: -371.206802
where:
bonds (distance) C4'-P energy: -73.367
bonds (distance) P-C4' energy: -84.023
flat angles C4'-P-C4' energy: -88.878
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -79.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -727.121810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.121810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.121810 (E_RNA)
where:
Base-Base interactions energy: -457.017
where: short stacking energy: -224.624
Base-Backbone interact. energy: 0.452
local terms energy: -270.557350
where:
bonds (distance) C4'-P energy: -70.179
bonds (distance) P-C4' energy: -72.315
flat angles C4'-P-C4' energy: -72.304
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -475.408497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.408497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.408497 (E_RNA)
where:
Base-Base interactions energy: -216.784
where: short stacking energy: -142.350
Base-Backbone interact. energy: 0.910
local terms energy: -259.534099
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -79.695
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1671.821019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.821019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.821019 (E_RNA)
where:
Base-Base interactions energy: -1168.985
where: short stacking energy: -512.552
Base-Backbone interact. energy: -3.105
local terms energy: -499.730958
where:
bonds (distance) C4'-P energy: -82.406
bonds (distance) P-C4' energy: -94.970
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -71.130
tors. eta vs tors. theta energy: -148.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1608.342136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.342136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.342136 (E_RNA)
where:
Base-Base interactions energy: -1110.477
where: short stacking energy: -509.050
Base-Backbone interact. energy: -1.072
local terms energy: -496.792957
where:
bonds (distance) C4'-P energy: -83.042
bonds (distance) P-C4' energy: -82.182
flat angles C4'-P-C4' energy: -103.315
flat angles P-C4'-P energy: -67.917
tors. eta vs tors. theta energy: -160.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1558.178547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.178547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.178547 (E_RNA)
where:
Base-Base interactions energy: -1109.142
where: short stacking energy: -445.727
Base-Backbone interact. energy: -0.682
local terms energy: -448.354982
where:
bonds (distance) C4'-P energy: -89.967
bonds (distance) P-C4' energy: -81.130
flat angles C4'-P-C4' energy: -98.444
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -118.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1501.305217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.305217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.305217 (E_RNA)
where:
Base-Base interactions energy: -1033.175
where: short stacking energy: -451.163
Base-Backbone interact. energy: -3.044
local terms energy: -465.085786
where:
bonds (distance) C4'-P energy: -70.432
bonds (distance) P-C4' energy: -88.941
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -69.818
tors. eta vs tors. theta energy: -134.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1230.863639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.863639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.863639 (E_RNA)
where:
Base-Base interactions energy: -786.983
where: short stacking energy: -376.389
Base-Backbone interact. energy: -2.263
local terms energy: -441.616945
where:
bonds (distance) C4'-P energy: -80.685
bonds (distance) P-C4' energy: -92.180
flat angles C4'-P-C4' energy: -98.356
flat angles P-C4'-P energy: -68.323
tors. eta vs tors. theta energy: -102.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1272.308142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.308142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.308142 (E_RNA)
where:
Base-Base interactions energy: -850.960
where: short stacking energy: -393.515
Base-Backbone interact. energy: -2.850
local terms energy: -418.498028
where:
bonds (distance) C4'-P energy: -84.808
bonds (distance) P-C4' energy: -83.887
flat angles C4'-P-C4' energy: -96.935
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -101.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1034.656956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.656956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.656956 (E_RNA)
where:
Base-Base interactions energy: -659.261
where: short stacking energy: -301.364
Base-Backbone interact. energy: 1.233
local terms energy: -376.628668
where:
bonds (distance) C4'-P energy: -88.408
bonds (distance) P-C4' energy: -86.180
flat angles C4'-P-C4' energy: -89.620
flat angles P-C4'-P energy: -45.245
tors. eta vs tors. theta energy: -67.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1005.507779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.507779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.507779 (E_RNA)
where:
Base-Base interactions energy: -653.687
where: short stacking energy: -290.056
Base-Backbone interact. energy: -2.200
local terms energy: -349.620350
where:
bonds (distance) C4'-P energy: -76.851
bonds (distance) P-C4' energy: -77.041
flat angles C4'-P-C4' energy: -84.461
flat angles P-C4'-P energy: -66.590
tors. eta vs tors. theta energy: -44.678
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: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -859.727414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.727414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.727414 (E_RNA)
where:
Base-Base interactions energy: -544.441
where: short stacking energy: -246.804
Base-Backbone interact. energy: -1.499
local terms energy: -313.786990
where:
bonds (distance) C4'-P energy: -77.829
bonds (distance) P-C4' energy: -88.937
flat angles C4'-P-C4' energy: -63.883
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -47.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -514.497942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.497942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.497942 (E_RNA)
where:
Base-Base interactions energy: -257.068
where: short stacking energy: -137.307
Base-Backbone interact. energy: 1.467
local terms energy: -258.897716
where:
bonds (distance) C4'-P energy: -64.676
bonds (distance) P-C4' energy: -86.073
flat angles C4'-P-C4' energy: -61.255
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -8.035
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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1658.028211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.028211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.028211 (E_RNA)
where:
Base-Base interactions energy: -1145.769
where: short stacking energy: -509.691
Base-Backbone interact. energy: -3.345
local terms energy: -508.913577
where:
bonds (distance) C4'-P energy: -100.786
bonds (distance) P-C4' energy: -88.745
flat angles C4'-P-C4' energy: -105.395
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -144.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1601.100709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.100709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.100709 (E_RNA)
where:
Base-Base interactions energy: -1098.229
where: short stacking energy: -514.279
Base-Backbone interact. energy: -1.019
local terms energy: -501.853009
where:
bonds (distance) C4'-P energy: -82.363
bonds (distance) P-C4' energy: -94.909
flat angles C4'-P-C4' energy: -100.985
flat angles P-C4'-P energy: -67.733
tors. eta vs tors. theta energy: -155.862
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: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1528.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.891739 (E_RNA)
where:
Base-Base interactions energy: -1081.838
where: short stacking energy: -429.027
Base-Backbone interact. energy: -4.398
local terms energy: -442.656069
where:
bonds (distance) C4'-P energy: -85.514
bonds (distance) P-C4' energy: -95.733
flat angles C4'-P-C4' energy: -93.226
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -114.253
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: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1497.903986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.903986 (E_RNA)
where:
Base-Base interactions energy: -1032.404
where: short stacking energy: -442.354
Base-Backbone interact. energy: -0.718
local terms energy: -464.781309
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -88.625
flat angles C4'-P-C4' energy: -85.586
flat angles P-C4'-P energy: -67.724
tors. eta vs tors. theta energy: -134.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1262.861199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.861199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.861199 (E_RNA)
where:
Base-Base interactions energy: -867.500
where: short stacking energy: -363.329
Base-Backbone interact. energy: -0.120
local terms energy: -395.241266
where:
bonds (distance) C4'-P energy: -79.377
bonds (distance) P-C4' energy: -75.340
flat angles C4'-P-C4' energy: -85.268
flat angles P-C4'-P energy: -65.639
tors. eta vs tors. theta energy: -89.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1263.725505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.725505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.725505 (E_RNA)
where:
Base-Base interactions energy: -858.280
where: short stacking energy: -398.736
Base-Backbone interact. energy: -0.583
local terms energy: -404.862817
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -85.486
flat angles C4'-P-C4' energy: -81.089
flat angles P-C4'-P energy: -60.656
tors. eta vs tors. theta energy: -97.023
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: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1034.858198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.858198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.858198 (E_RNA)
where:
Base-Base interactions energy: -663.338
where: short stacking energy: -304.059
Base-Backbone interact. energy: -0.636
local terms energy: -370.883750
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -87.513
flat angles C4'-P-C4' energy: -89.504
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -67.989
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: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -948.743833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.743833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.743833 (E_RNA)
where:
Base-Base interactions energy: -637.496
where: short stacking energy: -287.223
Base-Backbone interact. energy: -3.026
local terms energy: -308.222099
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -78.774
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -46.711
tors. eta vs tors. theta energy: -44.867
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -809.194483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.194483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.194483 (E_RNA)
where:
Base-Base interactions energy: -510.654
where: short stacking energy: -257.913
Base-Backbone interact. energy: 12.955
local terms energy: -311.495728
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -78.067
flat angles C4'-P-C4' energy: -79.789
flat angles P-C4'-P energy: -32.808
tors. eta vs tors. theta energy: -34.694
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -600.283215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.283215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.283215 (E_RNA)
where:
Base-Base interactions energy: -332.784
where: short stacking energy: -160.597
Base-Backbone interact. energy: -0.399
local terms energy: -267.099526
where:
bonds (distance) C4'-P energy: -79.496
bonds (distance) P-C4' energy: -71.594
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -46.938
tors. eta vs tors. theta energy: -12.533
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: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1657.125302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.125302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.125302 (E_RNA)
where:
Base-Base interactions energy: -1187.063
where: short stacking energy: -510.354
Base-Backbone interact. energy: -1.962
local terms energy: -468.100511
where:
bonds (distance) C4'-P energy: -80.742
bonds (distance) P-C4' energy: -94.509
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -64.403
tors. eta vs tors. theta energy: -139.214
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: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1604.626070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.626070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.626070 (E_RNA)
where:
Base-Base interactions energy: -1116.685
where: short stacking energy: -491.342
Base-Backbone interact. energy: -0.068
local terms energy: -487.873349
where:
bonds (distance) C4'-P energy: -82.697
bonds (distance) P-C4' energy: -83.607
flat angles C4'-P-C4' energy: -100.579
flat angles P-C4'-P energy: -75.591
tors. eta vs tors. theta energy: -145.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1583.307477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.307477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.307477 (E_RNA)
where:
Base-Base interactions energy: -1119.654
where: short stacking energy: -438.408
Base-Backbone interact. energy: -4.301
local terms energy: -459.352918
where:
bonds (distance) C4'-P energy: -85.000
bonds (distance) P-C4' energy: -84.665
flat angles C4'-P-C4' energy: -101.425
flat angles P-C4'-P energy: -71.084
tors. eta vs tors. theta energy: -117.178
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: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1466.981610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.981610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.981610 (E_RNA)
where:
Base-Base interactions energy: -1016.951
where: short stacking energy: -451.031
Base-Backbone interact. energy: -2.426
local terms energy: -447.604918
where:
bonds (distance) C4'-P energy: -75.530
bonds (distance) P-C4' energy: -79.115
flat angles C4'-P-C4' energy: -99.502
flat angles P-C4'-P energy: -63.873
tors. eta vs tors. theta energy: -129.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1268.814898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.814898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.814898 (E_RNA)
where:
Base-Base interactions energy: -866.367
where: short stacking energy: -395.170
Base-Backbone interact. energy: -2.136
local terms energy: -400.311202
where:
bonds (distance) C4'-P energy: -85.227
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -98.022
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -93.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1240.525458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.525458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.525458 (E_RNA)
where:
Base-Base interactions energy: -834.162
where: short stacking energy: -375.015
Base-Backbone interact. energy: 0.150
local terms energy: -406.513376
where:
bonds (distance) C4'-P energy: -76.329
bonds (distance) P-C4' energy: -81.973
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -92.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1055.825812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.825812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.825812 (E_RNA)
where:
Base-Base interactions energy: -710.883
where: short stacking energy: -325.944
Base-Backbone interact. energy: -0.770
local terms energy: -344.172477
where:
bonds (distance) C4'-P energy: -93.612
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -75.217
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -64.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -993.577086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.577086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.577086 (E_RNA)
where:
Base-Base interactions energy: -666.759
where: short stacking energy: -301.789
Base-Backbone interact. energy: -2.720
local terms energy: -324.097290
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -61.966
flat angles C4'-P-C4' energy: -74.772
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -71.066
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: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -809.734514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.734514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.734514 (E_RNA)
where:
Base-Base interactions energy: -499.895
where: short stacking energy: -235.587
Base-Backbone interact. energy: 2.802
local terms energy: -312.641837
where:
bonds (distance) C4'-P energy: -66.439
bonds (distance) P-C4' energy: -65.668
flat angles C4'-P-C4' energy: -80.312
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -508.983638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.983638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.983638 (E_RNA)
where:
Base-Base interactions energy: -232.450
where: short stacking energy: -140.213
Base-Backbone interact. energy: 0.900
local terms energy: -277.433830
where:
bonds (distance) C4'-P energy: -72.796
bonds (distance) P-C4' energy: -80.966
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -0.063
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: 262
Temperature: 0.900000
Total energy: -1649.770873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.770873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.770873 (E_RNA)
where:
Base-Base interactions energy: -1135.333
where: short stacking energy: -503.401
Base-Backbone interact. energy: -3.061
local terms energy: -511.376842
where:
bonds (distance) C4'-P energy: -96.961
bonds (distance) P-C4' energy: -98.748
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -70.322
tors. eta vs tors. theta energy: -139.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1603.541374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.541374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.541374 (E_RNA)
where:
Base-Base interactions energy: -1083.005
where: short stacking energy: -486.182
Base-Backbone interact. energy: -2.037
local terms energy: -518.498895
where:
bonds (distance) C4'-P energy: -85.199
bonds (distance) P-C4' energy: -106.349
flat angles C4'-P-C4' energy: -104.181
flat angles P-C4'-P energy: -73.771
tors. eta vs tors. theta energy: -148.999
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: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1533.920660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.920660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.920660 (E_RNA)
where:
Base-Base interactions energy: -1072.282
where: short stacking energy: -455.106
Base-Backbone interact. energy: -3.712
local terms energy: -457.926574
where:
bonds (distance) C4'-P energy: -73.275
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -96.784
flat angles P-C4'-P energy: -72.429
tors. eta vs tors. theta energy: -124.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1480.648835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.648835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.648835 (E_RNA)
where:
Base-Base interactions energy: -1045.605
where: short stacking energy: -426.662
Base-Backbone interact. energy: 3.111
local terms energy: -438.154483
where:
bonds (distance) C4'-P energy: -94.401
bonds (distance) P-C4' energy: -86.085
flat angles C4'-P-C4' energy: -85.958
flat angles P-C4'-P energy: -66.892
tors. eta vs tors. theta energy: -104.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1274.096086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.096086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.096086 (E_RNA)
where:
Base-Base interactions energy: -870.255
where: short stacking energy: -389.676
Base-Backbone interact. energy: -2.330
local terms energy: -401.510664
where:
bonds (distance) C4'-P energy: -78.768
bonds (distance) P-C4' energy: -84.430
flat angles C4'-P-C4' energy: -94.888
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -90.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1229.594514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.594514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.594514 (E_RNA)
where:
Base-Base interactions energy: -794.817
where: short stacking energy: -372.847
Base-Backbone interact. energy: -3.237
local terms energy: -431.540087
where:
bonds (distance) C4'-P energy: -74.927
bonds (distance) P-C4' energy: -84.516
flat angles C4'-P-C4' energy: -101.741
flat angles P-C4'-P energy: -66.146
tors. eta vs tors. theta energy: -104.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1123.143148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.143148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.143148 (E_RNA)
where:
Base-Base interactions energy: -744.359
where: short stacking energy: -334.511
Base-Backbone interact. energy: 0.055
local terms energy: -378.839269
where:
bonds (distance) C4'-P energy: -82.542
bonds (distance) P-C4' energy: -77.836
flat angles C4'-P-C4' energy: -91.460
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -84.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1031.687906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.687906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.687906 (E_RNA)
where:
Base-Base interactions energy: -672.663
where: short stacking energy: -302.193
Base-Backbone interact. energy: -2.333
local terms energy: -356.691983
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -75.127
flat angles C4'-P-C4' energy: -80.307
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -66.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -782.988654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.988654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.988654 (E_RNA)
where:
Base-Base interactions energy: -456.609
where: short stacking energy: -230.829
Base-Backbone interact. energy: -2.096
local terms energy: -324.283898
where:
bonds (distance) C4'-P energy: -71.338
bonds (distance) P-C4' energy: -73.729
flat angles C4'-P-C4' energy: -82.547
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -50.709
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -539.686217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.686217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.686217 (E_RNA)
where:
Base-Base interactions energy: -291.114
where: short stacking energy: -170.819
Base-Backbone interact. energy: 0.416
local terms energy: -248.987711
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -65.902
flat angles C4'-P-C4' energy: -60.967
flat angles P-C4'-P energy: -46.030
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1668.514697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.514697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.514697 (E_RNA)
where:
Base-Base interactions energy: -1162.994
where: short stacking energy: -525.624
Base-Backbone interact. energy: -2.266
local terms energy: -503.255025
where:
bonds (distance) C4'-P energy: -92.489
bonds (distance) P-C4' energy: -92.390
flat angles C4'-P-C4' energy: -105.241
flat angles P-C4'-P energy: -70.082
tors. eta vs tors. theta energy: -143.053
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: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1603.177956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.177956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.177956 (E_RNA)
where:
Base-Base interactions energy: -1101.093
where: short stacking energy: -510.571
Base-Backbone interact. energy: -0.315
local terms energy: -501.770401
where:
bonds (distance) C4'-P energy: -84.540
bonds (distance) P-C4' energy: -88.995
flat angles C4'-P-C4' energy: -110.244
flat angles P-C4'-P energy: -65.684
tors. eta vs tors. theta energy: -152.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1513.443609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.443609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.443609 (E_RNA)
where:
Base-Base interactions energy: -1018.117
where: short stacking energy: -445.781
Base-Backbone interact. energy: -0.673
local terms energy: -494.654382
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -103.364
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -121.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1492.324809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.324809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.324809 (E_RNA)
where:
Base-Base interactions energy: -1045.590
where: short stacking energy: -390.298
Base-Backbone interact. energy: -2.915
local terms energy: -443.819600
where:
bonds (distance) C4'-P energy: -94.626
bonds (distance) P-C4' energy: -85.827
flat angles C4'-P-C4' energy: -81.980
flat angles P-C4'-P energy: -73.882
tors. eta vs tors. theta energy: -107.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1260.121887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.121887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.121887 (E_RNA)
where:
Base-Base interactions energy: -851.197
where: short stacking energy: -385.750
Base-Backbone interact. energy: -1.341
local terms energy: -407.583290
where:
bonds (distance) C4'-P energy: -68.000
bonds (distance) P-C4' energy: -96.360
flat angles C4'-P-C4' energy: -82.388
flat angles P-C4'-P energy: -60.780
tors. eta vs tors. theta energy: -100.055
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: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1275.932096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.932096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.932096 (E_RNA)
where:
Base-Base interactions energy: -863.810
where: short stacking energy: -398.531
Base-Backbone interact. energy: -1.527
local terms energy: -410.595184
where:
bonds (distance) C4'-P energy: -73.899
bonds (distance) P-C4' energy: -75.307
flat angles C4'-P-C4' energy: -93.897
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -108.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1107.207814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.207814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.207814 (E_RNA)
where:
Base-Base interactions energy: -713.888
where: short stacking energy: -350.552
Base-Backbone interact. energy: -2.510
local terms energy: -390.809530
where:
bonds (distance) C4'-P energy: -79.766
bonds (distance) P-C4' energy: -85.095
flat angles C4'-P-C4' energy: -97.666
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -79.733
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: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1076.210163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.210163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.210163 (E_RNA)
where:
Base-Base interactions energy: -707.791
where: short stacking energy: -316.912
Base-Backbone interact. energy: 0.725
local terms energy: -369.144203
where:
bonds (distance) C4'-P energy: -68.938
bonds (distance) P-C4' energy: -79.830
flat angles C4'-P-C4' energy: -84.293
flat angles P-C4'-P energy: -63.424
tors. eta vs tors. theta energy: -72.659
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: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -767.533078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.533078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.533078 (E_RNA)
where:
Base-Base interactions energy: -460.981
where: short stacking energy: -222.691
Base-Backbone interact. energy: -0.291
local terms energy: -306.261699
where:
bonds (distance) C4'-P energy: -70.893
bonds (distance) P-C4' energy: -82.556
flat angles C4'-P-C4' energy: -84.038
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -27.846
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: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -519.376126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.376126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.376126 (E_RNA)
where:
Base-Base interactions energy: -290.832
where: short stacking energy: -156.843
Base-Backbone interact. energy: -1.839
local terms energy: -226.705642
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -76.890
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1659.454128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.454128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.454128 (E_RNA)
where:
Base-Base interactions energy: -1124.347
where: short stacking energy: -523.241
Base-Backbone interact. energy: -0.850
local terms energy: -534.257425
where:
bonds (distance) C4'-P energy: -103.434
bonds (distance) P-C4' energy: -87.362
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -152.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1632.935959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.935959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.935959 (E_RNA)
where:
Base-Base interactions energy: -1148.373
where: short stacking energy: -512.732
Base-Backbone interact. energy: -1.133
local terms energy: -483.430059
where:
bonds (distance) C4'-P energy: -87.436
bonds (distance) P-C4' energy: -88.071
flat angles C4'-P-C4' energy: -97.119
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -137.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1550.400916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.400916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.400916 (E_RNA)
where:
Base-Base interactions energy: -1071.552
where: short stacking energy: -454.522
Base-Backbone interact. energy: -3.522
local terms energy: -475.327099
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -84.129
flat angles C4'-P-C4' energy: -94.684
flat angles P-C4'-P energy: -72.919
tors. eta vs tors. theta energy: -131.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1497.283665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.283665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.283665 (E_RNA)
where:
Base-Base interactions energy: -1059.184
where: short stacking energy: -409.720
Base-Backbone interact. energy: 0.557
local terms energy: -438.656776
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -85.352
flat angles C4'-P-C4' energy: -101.891
flat angles P-C4'-P energy: -65.163
tors. eta vs tors. theta energy: -103.900
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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1334.535220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.535220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.535220 (E_RNA)
where:
Base-Base interactions energy: -900.415
where: short stacking energy: -401.206
Base-Backbone interact. energy: -1.420
local terms energy: -432.700254
where:
bonds (distance) C4'-P energy: -75.788
bonds (distance) P-C4' energy: -93.624
flat angles C4'-P-C4' energy: -89.181
flat angles P-C4'-P energy: -70.261
tors. eta vs tors. theta energy: -103.847
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: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1185.373684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.373684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.373684 (E_RNA)
where:
Base-Base interactions energy: -806.597
where: short stacking energy: -346.402
Base-Backbone interact. energy: -2.959
local terms energy: -375.817347
where:
bonds (distance) C4'-P energy: -86.394
bonds (distance) P-C4' energy: -68.208
flat angles C4'-P-C4' energy: -86.727
flat angles P-C4'-P energy: -53.165
tors. eta vs tors. theta energy: -81.323
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1141.520811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.520811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.520811 (E_RNA)
where:
Base-Base interactions energy: -753.509
where: short stacking energy: -357.063
Base-Backbone interact. energy: -1.821
local terms energy: -386.191052
where:
bonds (distance) C4'-P energy: -74.100
bonds (distance) P-C4' energy: -80.022
flat angles C4'-P-C4' energy: -80.808
flat angles P-C4'-P energy: -60.575
tors. eta vs tors. theta energy: -90.686
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: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1034.405873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.405873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.405873 (E_RNA)
where:
Base-Base interactions energy: -710.664
where: short stacking energy: -314.908
Base-Backbone interact. energy: -1.433
local terms energy: -322.308961
where:
bonds (distance) C4'-P energy: -57.738
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -82.694
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: -69.523
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -771.954808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.954808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.954808 (E_RNA)
where:
Base-Base interactions energy: -468.180
where: short stacking energy: -229.062
Base-Backbone interact. energy: -2.744
local terms energy: -301.030780
where:
bonds (distance) C4'-P energy: -79.046
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -63.311
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -29.687
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: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -553.243368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.243368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.243368 (E_RNA)
where:
Base-Base interactions energy: -310.202
where: short stacking energy: -180.116
Base-Backbone interact. energy: -1.751
local terms energy: -241.290318
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -76.090
flat angles C4'-P-C4' energy: -53.536
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1623.071674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.071674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.071674 (E_RNA)
where:
Base-Base interactions energy: -1125.041
where: short stacking energy: -519.352
Base-Backbone interact. energy: 3.667
local terms energy: -501.697500
where:
bonds (distance) C4'-P energy: -88.246
bonds (distance) P-C4' energy: -84.547
flat angles C4'-P-C4' energy: -114.079
flat angles P-C4'-P energy: -64.864
tors. eta vs tors. theta energy: -149.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1632.500277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.500277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.500277 (E_RNA)
where:
Base-Base interactions energy: -1141.657
where: short stacking energy: -492.199
Base-Backbone interact. energy: -2.932
local terms energy: -487.911188
where:
bonds (distance) C4'-P energy: -95.439
bonds (distance) P-C4' energy: -92.209
flat angles C4'-P-C4' energy: -95.278
flat angles P-C4'-P energy: -67.703
tors. eta vs tors. theta energy: -137.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1566.202333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.202333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.202333 (E_RNA)
where:
Base-Base interactions energy: -1082.582
where: short stacking energy: -473.454
Base-Backbone interact. energy: -0.793
local terms energy: -482.826871
where:
bonds (distance) C4'-P energy: -90.849
bonds (distance) P-C4' energy: -81.710
flat angles C4'-P-C4' energy: -89.990
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -140.373
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: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1495.387656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.387656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.387656 (E_RNA)
where:
Base-Base interactions energy: -1055.395
where: short stacking energy: -434.907
Base-Backbone interact. energy: 0.639
local terms energy: -440.632088
where:
bonds (distance) C4'-P energy: -83.956
bonds (distance) P-C4' energy: -81.266
flat angles C4'-P-C4' energy: -87.981
flat angles P-C4'-P energy: -67.841
tors. eta vs tors. theta energy: -119.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1266.584869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.584869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.584869 (E_RNA)
where:
Base-Base interactions energy: -837.360
where: short stacking energy: -391.477
Base-Backbone interact. energy: -4.134
local terms energy: -425.090583
where:
bonds (distance) C4'-P energy: -75.560
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -102.506
flat angles P-C4'-P energy: -47.694
tors. eta vs tors. theta energy: -113.760
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1199.059997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.059997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.059997 (E_RNA)
where:
Base-Base interactions energy: -809.097
where: short stacking energy: -367.716
Base-Backbone interact. energy: -2.010
local terms energy: -387.953021
where:
bonds (distance) C4'-P energy: -71.761
bonds (distance) P-C4' energy: -70.855
flat angles C4'-P-C4' energy: -95.741
flat angles P-C4'-P energy: -57.176
tors. eta vs tors. theta energy: -92.420
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1204.957965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.957965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.957965 (E_RNA)
where:
Base-Base interactions energy: -791.197
where: short stacking energy: -379.060
Base-Backbone interact. energy: -0.468
local terms energy: -413.293262
where:
bonds (distance) C4'-P energy: -74.429
bonds (distance) P-C4' energy: -75.606
flat angles C4'-P-C4' energy: -90.732
flat angles P-C4'-P energy: -70.292
tors. eta vs tors. theta energy: -102.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1045.637969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.637969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.637969 (E_RNA)
where:
Base-Base interactions energy: -691.485
where: short stacking energy: -327.077
Base-Backbone interact. energy: 0.685
local terms energy: -354.837816
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -85.001
flat angles P-C4'-P energy: -65.091
tors. eta vs tors. theta energy: -65.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -757.334691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.334691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.334691 (E_RNA)
where:
Base-Base interactions energy: -457.233
where: short stacking energy: -227.728
Base-Backbone interact. energy: -1.872
local terms energy: -298.229574
where:
bonds (distance) C4'-P energy: -74.096
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -33.815
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: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -535.602478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.602478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.602478 (E_RNA)
where:
Base-Base interactions energy: -261.752
where: short stacking energy: -174.283
Base-Backbone interact. energy: -1.039
local terms energy: -272.811395
where:
bonds (distance) C4'-P energy: -70.940
bonds (distance) P-C4' energy: -76.046
flat angles C4'-P-C4' energy: -75.502
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -6.156
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1654.505414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.505414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.505414 (E_RNA)
where:
Base-Base interactions energy: -1148.462
where: short stacking energy: -507.395
Base-Backbone interact. energy: -4.000
local terms energy: -502.043439
where:
bonds (distance) C4'-P energy: -96.035
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -96.451
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -138.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1593.259641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.259641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.259641 (E_RNA)
where:
Base-Base interactions energy: -1106.355
where: short stacking energy: -489.128
Base-Backbone interact. energy: -1.465
local terms energy: -485.439872
where:
bonds (distance) C4'-P energy: -69.111
bonds (distance) P-C4' energy: -85.735
flat angles C4'-P-C4' energy: -107.395
flat angles P-C4'-P energy: -72.371
tors. eta vs tors. theta energy: -150.828
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: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1515.884790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.884790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.884790 (E_RNA)
where:
Base-Base interactions energy: -1052.523
where: short stacking energy: -449.128
Base-Backbone interact. energy: -3.000
local terms energy: -460.362413
where:
bonds (distance) C4'-P energy: -87.228
bonds (distance) P-C4' energy: -73.266
flat angles C4'-P-C4' energy: -101.274
flat angles P-C4'-P energy: -73.043
tors. eta vs tors. theta energy: -125.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1497.426003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.426003 (E_RNA)
where:
Base-Base interactions energy: -1084.337
where: short stacking energy: -431.437
Base-Backbone interact. energy: -3.164
local terms energy: -409.925803
where:
bonds (distance) C4'-P energy: -75.851
bonds (distance) P-C4' energy: -79.001
flat angles C4'-P-C4' energy: -92.032
flat angles P-C4'-P energy: -56.530
tors. eta vs tors. theta energy: -106.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1323.925838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.925838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.925838 (E_RNA)
where:
Base-Base interactions energy: -894.209
where: short stacking energy: -405.039
Base-Backbone interact. energy: -0.969
local terms energy: -428.748085
where:
bonds (distance) C4'-P energy: -80.824
bonds (distance) P-C4' energy: -70.621
flat angles C4'-P-C4' energy: -92.549
flat angles P-C4'-P energy: -69.108
tors. eta vs tors. theta energy: -115.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1206.359414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.359414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.359414 (E_RNA)
where:
Base-Base interactions energy: -819.244
where: short stacking energy: -367.847
Base-Backbone interact. energy: -1.601
local terms energy: -385.514978
where:
bonds (distance) C4'-P energy: -64.122
bonds (distance) P-C4' energy: -79.134
flat angles C4'-P-C4' energy: -90.747
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -91.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1125.542340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.542340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.542340 (E_RNA)
where:
Base-Base interactions energy: -743.147
where: short stacking energy: -324.208
Base-Backbone interact. energy: -2.189
local terms energy: -380.207306
where:
bonds (distance) C4'-P energy: -89.226
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -56.230
tors. eta vs tors. theta energy: -69.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -984.461887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.461887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.461887 (E_RNA)
where:
Base-Base interactions energy: -669.173
where: short stacking energy: -286.553
Base-Backbone interact. energy: -2.562
local terms energy: -312.726684
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -72.555
flat angles C4'-P-C4' energy: -80.917
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -704.671999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.671999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.671999 (E_RNA)
where:
Base-Base interactions energy: -412.399
where: short stacking energy: -211.371
Base-Backbone interact. energy: -1.604
local terms energy: -290.668881
where:
bonds (distance) C4'-P energy: -67.625
bonds (distance) P-C4' energy: -68.889
flat angles C4'-P-C4' energy: -79.708
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -523.171707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.171707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.171707 (E_RNA)
where:
Base-Base interactions energy: -265.956
where: short stacking energy: -147.127
Base-Backbone interact. energy: 1.246
local terms energy: -258.462101
where:
bonds (distance) C4'-P energy: -73.128
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -72.259
flat angles P-C4'-P energy: -53.945
tors. eta vs tors. theta energy: 10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1671.034742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.034742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.034742 (E_RNA)
where:
Base-Base interactions energy: -1160.135
where: short stacking energy: -509.628
Base-Backbone interact. energy: -3.390
local terms energy: -507.510116
where:
bonds (distance) C4'-P energy: -93.449
bonds (distance) P-C4' energy: -88.421
flat angles C4'-P-C4' energy: -105.528
flat angles P-C4'-P energy: -72.903
tors. eta vs tors. theta energy: -147.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1604.823581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.823581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.823581 (E_RNA)
where:
Base-Base interactions energy: -1095.876
where: short stacking energy: -494.348
Base-Backbone interact. energy: -1.533
local terms energy: -507.414653
where:
bonds (distance) C4'-P energy: -77.879
bonds (distance) P-C4' energy: -98.812
flat angles C4'-P-C4' energy: -109.257
flat angles P-C4'-P energy: -69.740
tors. eta vs tors. theta energy: -151.727
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: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1535.613598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.613598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.613598 (E_RNA)
where:
Base-Base interactions energy: -1068.199
where: short stacking energy: -465.352
Base-Backbone interact. energy: -1.722
local terms energy: -465.692344
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -83.004
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -68.919
tors. eta vs tors. theta energy: -128.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1496.055074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.055074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.055074 (E_RNA)
where:
Base-Base interactions energy: -1050.174
where: short stacking energy: -430.886
Base-Backbone interact. energy: -2.274
local terms energy: -443.607172
where:
bonds (distance) C4'-P energy: -79.373
bonds (distance) P-C4' energy: -86.489
flat angles C4'-P-C4' energy: -92.188
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -120.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1327.794436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.794436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.794436 (E_RNA)
where:
Base-Base interactions energy: -904.506
where: short stacking energy: -403.977
Base-Backbone interact. energy: -1.903
local terms energy: -421.385527
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -67.022
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -72.081
tors. eta vs tors. theta energy: -100.187
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: 267
Temperature: 1.150000
Total energy: -1153.823464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.823464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.823464 (E_RNA)
where:
Base-Base interactions energy: -755.210
where: short stacking energy: -335.507
Base-Backbone interact. energy: -2.066
local terms energy: -396.547598
where:
bonds (distance) C4'-P energy: -81.096
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -89.650
flat angles P-C4'-P energy: -49.095
tors. eta vs tors. theta energy: -87.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1116.146828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.146828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.146828 (E_RNA)
where:
Base-Base interactions energy: -725.128
where: short stacking energy: -335.660
Base-Backbone interact. energy: -1.295
local terms energy: -389.723507
where:
bonds (distance) C4'-P energy: -84.867
bonds (distance) P-C4' energy: -74.063
flat angles C4'-P-C4' energy: -78.475
flat angles P-C4'-P energy: -69.451
tors. eta vs tors. theta energy: -82.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -944.017499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.017499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.017499 (E_RNA)
where:
Base-Base interactions energy: -607.157
where: short stacking energy: -293.847
Base-Backbone interact. energy: 1.188
local terms energy: -338.047701
where:
bonds (distance) C4'-P energy: -72.090
bonds (distance) P-C4' energy: -77.057
flat angles C4'-P-C4' energy: -71.925
flat angles P-C4'-P energy: -49.811
tors. eta vs tors. theta energy: -67.165
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -770.097617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.097617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.097617 (E_RNA)
where:
Base-Base interactions energy: -489.508
where: short stacking energy: -248.592
Base-Backbone interact. energy: -1.031
local terms energy: -279.558908
where:
bonds (distance) C4'-P energy: -77.885
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -83.002
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -537.997289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.997289 (E_RNA)
where:
Base-Base interactions energy: -282.521
where: short stacking energy: -159.123
Base-Backbone interact. energy: 4.816
local terms energy: -260.292554
where:
bonds (distance) C4'-P energy: -63.674
bonds (distance) P-C4' energy: -81.707
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1661.966930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.966930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.966930 (E_RNA)
where:
Base-Base interactions energy: -1154.730
where: short stacking energy: -494.124
Base-Backbone interact. energy: -4.782
local terms energy: -502.455351
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -94.525
flat angles C4'-P-C4' energy: -104.492
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -141.536
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: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1605.578960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.578960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.578960 (E_RNA)
where:
Base-Base interactions energy: -1103.021
where: short stacking energy: -499.019
Base-Backbone interact. energy: -1.765
local terms energy: -500.792631
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -88.937
flat angles C4'-P-C4' energy: -107.396
flat angles P-C4'-P energy: -72.086
tors. eta vs tors. theta energy: -155.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1558.052644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.052644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.052644 (E_RNA)
where:
Base-Base interactions energy: -1068.666
where: short stacking energy: -475.595
Base-Backbone interact. energy: -0.561
local terms energy: -488.824675
where:
bonds (distance) C4'-P energy: -85.858
bonds (distance) P-C4' energy: -93.096
flat angles C4'-P-C4' energy: -94.914
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -137.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1484.629872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.629872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.629872 (E_RNA)
where:
Base-Base interactions energy: -1045.454
where: short stacking energy: -425.319
Base-Backbone interact. energy: -1.846
local terms energy: -437.329440
where:
bonds (distance) C4'-P energy: -80.532
bonds (distance) P-C4' energy: -89.417
flat angles C4'-P-C4' energy: -89.101
flat angles P-C4'-P energy: -59.899
tors. eta vs tors. theta energy: -118.380
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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1317.222586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.222586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.222586 (E_RNA)
where:
Base-Base interactions energy: -898.695
where: short stacking energy: -413.320
Base-Backbone interact. energy: -1.981
local terms energy: -416.546976
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -87.204
flat angles C4'-P-C4' energy: -92.496
flat angles P-C4'-P energy: -60.590
tors. eta vs tors. theta energy: -107.204
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: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1243.349156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.349156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.349156 (E_RNA)
where:
Base-Base interactions energy: -838.574
where: short stacking energy: -363.205
Base-Backbone interact. energy: -1.198
local terms energy: -403.576958
where:
bonds (distance) C4'-P energy: -77.218
bonds (distance) P-C4' energy: -90.273
flat angles C4'-P-C4' energy: -81.400
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -99.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1123.751096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.751096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.751096 (E_RNA)
where:
Base-Base interactions energy: -758.971
where: short stacking energy: -355.258
Base-Backbone interact. energy: -0.984
local terms energy: -363.796122
where:
bonds (distance) C4'-P energy: -79.974
bonds (distance) P-C4' energy: -82.579
flat angles C4'-P-C4' energy: -75.614
flat angles P-C4'-P energy: -34.922
tors. eta vs tors. theta energy: -90.707
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: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -930.034888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.034888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.034888 (E_RNA)
where:
Base-Base interactions energy: -604.122
where: short stacking energy: -257.861
Base-Backbone interact. energy: 0.333
local terms energy: -326.245970
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -86.395
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -43.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -767.903948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.903948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.903948 (E_RNA)
where:
Base-Base interactions energy: -472.340
where: short stacking energy: -228.973
Base-Backbone interact. energy: -0.182
local terms energy: -295.382264
where:
bonds (distance) C4'-P energy: -61.666
bonds (distance) P-C4' energy: -84.484
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: -22.116
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: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -504.966019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.966019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.966019 (E_RNA)
where:
Base-Base interactions energy: -236.011
where: short stacking energy: -141.381
Base-Backbone interact. energy: 0.381
local terms energy: -269.335919
where:
bonds (distance) C4'-P energy: -72.974
bonds (distance) P-C4' energy: -77.526
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1670.148205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.148205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.148205 (E_RNA)
where:
Base-Base interactions energy: -1158.973
where: short stacking energy: -504.111
Base-Backbone interact. energy: -3.998
local terms energy: -507.176709
where:
bonds (distance) C4'-P energy: -94.983
bonds (distance) P-C4' energy: -95.207
flat angles C4'-P-C4' energy: -99.296
flat angles P-C4'-P energy: -68.448
tors. eta vs tors. theta energy: -149.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1606.496993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.496993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.496993 (E_RNA)
where:
Base-Base interactions energy: -1090.253
where: short stacking energy: -518.248
Base-Backbone interact. energy: -0.151
local terms energy: -516.093581
where:
bonds (distance) C4'-P energy: -95.273
bonds (distance) P-C4' energy: -90.217
flat angles C4'-P-C4' energy: -103.740
flat angles P-C4'-P energy: -69.557
tors. eta vs tors. theta energy: -157.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1545.749083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.749083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.749083 (E_RNA)
where:
Base-Base interactions energy: -1076.327
where: short stacking energy: -465.016
Base-Backbone interact. energy: -2.763
local terms energy: -466.658774
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -93.073
flat angles C4'-P-C4' energy: -101.970
flat angles P-C4'-P energy: -67.006
tors. eta vs tors. theta energy: -126.021
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: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1485.656773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.656773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.656773 (E_RNA)
where:
Base-Base interactions energy: -1056.393
where: short stacking energy: -448.258
Base-Backbone interact. energy: -1.991
local terms energy: -427.272773
where:
bonds (distance) C4'-P energy: -65.324
bonds (distance) P-C4' energy: -80.247
flat angles C4'-P-C4' energy: -94.922
flat angles P-C4'-P energy: -73.211
tors. eta vs tors. theta energy: -113.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1335.606345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.606345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.606345 (E_RNA)
where:
Base-Base interactions energy: -904.986
where: short stacking energy: -406.006
Base-Backbone interact. energy: -0.091
local terms energy: -430.530259
where:
bonds (distance) C4'-P energy: -79.087
bonds (distance) P-C4' energy: -77.722
flat angles C4'-P-C4' energy: -92.762
flat angles P-C4'-P energy: -64.089
tors. eta vs tors. theta energy: -116.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1269.293741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.293741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.293741 (E_RNA)
where:
Base-Base interactions energy: -856.019
where: short stacking energy: -406.093
Base-Backbone interact. energy: 0.588
local terms energy: -413.863004
where:
bonds (distance) C4'-P energy: -67.935
bonds (distance) P-C4' energy: -78.441
flat angles C4'-P-C4' energy: -94.596
flat angles P-C4'-P energy: -69.915
tors. eta vs tors. theta energy: -102.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1093.609999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.609999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.609999 (E_RNA)
where:
Base-Base interactions energy: -734.214
where: short stacking energy: -328.676
Base-Backbone interact. energy: -0.742
local terms energy: -358.654099
where:
bonds (distance) C4'-P energy: -72.660
bonds (distance) P-C4' energy: -76.031
flat angles C4'-P-C4' energy: -93.270
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: -73.619
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: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -948.042992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.042992 (E_RNA)
where:
Base-Base interactions energy: -605.254
where: short stacking energy: -306.825
Base-Backbone interact. energy: 0.173
local terms energy: -342.961453
where:
bonds (distance) C4'-P energy: -82.104
bonds (distance) P-C4' energy: -79.368
flat angles C4'-P-C4' energy: -72.249
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -64.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -795.984265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.984265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.984265 (E_RNA)
where:
Base-Base interactions energy: -507.503
where: short stacking energy: -243.750
Base-Backbone interact. energy: 5.278
local terms energy: -293.759599
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -70.701
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -42.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -497.166014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.166014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.166014 (E_RNA)
where:
Base-Base interactions energy: -245.917
where: short stacking energy: -141.626
Base-Backbone interact. energy: -1.589
local terms energy: -249.660182
where:
bonds (distance) C4'-P energy: -79.731
bonds (distance) P-C4' energy: -74.300
flat angles C4'-P-C4' energy: -48.982
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -11.551
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1680.546030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.546030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.546030 (E_RNA)
where:
Base-Base interactions energy: -1159.135
where: short stacking energy: -506.130
Base-Backbone interact. energy: -5.160
local terms energy: -516.250979
where:
bonds (distance) C4'-P energy: -95.704
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -103.344
flat angles P-C4'-P energy: -71.558
tors. eta vs tors. theta energy: -143.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1580.162979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.162979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.162979 (E_RNA)
where:
Base-Base interactions energy: -1089.281
where: short stacking energy: -501.958
Base-Backbone interact. energy: 0.505
local terms energy: -491.386757
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -84.205
flat angles C4'-P-C4' energy: -102.467
flat angles P-C4'-P energy: -70.654
tors. eta vs tors. theta energy: -153.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1521.499231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.499231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.499231 (E_RNA)
where:
Base-Base interactions energy: -1037.360
where: short stacking energy: -430.637
Base-Backbone interact. energy: -4.320
local terms energy: -479.819999
where:
bonds (distance) C4'-P energy: -93.889
bonds (distance) P-C4' energy: -88.698
flat angles C4'-P-C4' energy: -104.745
flat angles P-C4'-P energy: -66.392
tors. eta vs tors. theta energy: -126.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1491.316119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.316119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.316119 (E_RNA)
where:
Base-Base interactions energy: -1034.680
where: short stacking energy: -455.584
Base-Backbone interact. energy: -2.570
local terms energy: -454.066641
where:
bonds (distance) C4'-P energy: -82.591
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -92.073
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -126.968
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1334.419124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.419124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.419124 (E_RNA)
where:
Base-Base interactions energy: -883.056
where: short stacking energy: -412.016
Base-Backbone interact. energy: 1.004
local terms energy: -452.366787
where:
bonds (distance) C4'-P energy: -78.518
bonds (distance) P-C4' energy: -83.252
flat angles C4'-P-C4' energy: -107.319
flat angles P-C4'-P energy: -61.341
tors. eta vs tors. theta energy: -121.936
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1261.131015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.131015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.131015 (E_RNA)
where:
Base-Base interactions energy: -862.628
where: short stacking energy: -391.975
Base-Backbone interact. energy: -0.508
local terms energy: -397.994104
where:
bonds (distance) C4'-P energy: -73.073
bonds (distance) P-C4' energy: -79.074
flat angles C4'-P-C4' energy: -81.049
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: -107.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1056.616799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.616799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.616799 (E_RNA)
where:
Base-Base interactions energy: -704.692
where: short stacking energy: -332.536
Base-Backbone interact. energy: -3.820
local terms energy: -348.105744
where:
bonds (distance) C4'-P energy: -68.241
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -86.993
flat angles P-C4'-P energy: -54.460
tors. eta vs tors. theta energy: -63.804
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -957.956423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.956423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.956423 (E_RNA)
where:
Base-Base interactions energy: -608.837
where: short stacking energy: -270.653
Base-Backbone interact. energy: -1.557
local terms energy: -347.563154
where:
bonds (distance) C4'-P energy: -80.327
bonds (distance) P-C4' energy: -75.258
flat angles C4'-P-C4' energy: -73.416
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: -62.344
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -771.043184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.043184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.043184 (E_RNA)
where:
Base-Base interactions energy: -457.172
where: short stacking energy: -222.518
Base-Backbone interact. energy: -5.565
local terms energy: -308.306601
where:
bonds (distance) C4'-P energy: -69.404
bonds (distance) P-C4' energy: -85.948
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -53.804
tors. eta vs tors. theta energy: -24.767
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: 270
Temperature: 1.350000
Total energy: -523.682460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.682460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.682460 (E_RNA)
where:
Base-Base interactions energy: -247.328
where: short stacking energy: -160.224
Base-Backbone interact. energy: 1.152
local terms energy: -277.506406
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -88.083
flat angles C4'-P-C4' energy: -76.239
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1673.926340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.926340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.926340 (E_RNA)
where:
Base-Base interactions energy: -1165.967
where: short stacking energy: -507.182
Base-Backbone interact. energy: -2.697
local terms energy: -505.261702
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -97.512
flat angles C4'-P-C4' energy: -108.081
flat angles P-C4'-P energy: -71.385
tors. eta vs tors. theta energy: -140.043
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: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1600.592635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.592635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.592635 (E_RNA)
where:
Base-Base interactions energy: -1107.752
where: short stacking energy: -523.730
Base-Backbone interact. energy: -0.968
local terms energy: -491.873522
where:
bonds (distance) C4'-P energy: -79.883
bonds (distance) P-C4' energy: -93.286
flat angles C4'-P-C4' energy: -95.212
flat angles P-C4'-P energy: -73.138
tors. eta vs tors. theta energy: -150.354
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: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1531.896057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.896057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.896057 (E_RNA)
where:
Base-Base interactions energy: -1069.824
where: short stacking energy: -444.445
Base-Backbone interact. energy: -2.213
local terms energy: -459.858693
where:
bonds (distance) C4'-P energy: -79.197
bonds (distance) P-C4' energy: -91.348
flat angles C4'-P-C4' energy: -106.355
flat angles P-C4'-P energy: -69.130
tors. eta vs tors. theta energy: -113.829
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: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1503.654692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.654692 (E_RNA)
where:
Base-Base interactions energy: -1037.167
where: short stacking energy: -464.464
Base-Backbone interact. energy: -2.719
local terms energy: -463.768959
where:
bonds (distance) C4'-P energy: -74.682
bonds (distance) P-C4' energy: -93.036
flat angles C4'-P-C4' energy: -90.154
flat angles P-C4'-P energy: -68.046
tors. eta vs tors. theta energy: -137.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1333.027952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.027952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.027952 (E_RNA)
where:
Base-Base interactions energy: -909.285
where: short stacking energy: -412.480
Base-Backbone interact. energy: -3.676
local terms energy: -420.067846
where:
bonds (distance) C4'-P energy: -95.173
bonds (distance) P-C4' energy: -65.764
flat angles C4'-P-C4' energy: -102.452
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -108.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1284.340922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.340922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.340922 (E_RNA)
where:
Base-Base interactions energy: -886.777
where: short stacking energy: -399.951
Base-Backbone interact. energy: 0.148
local terms energy: -397.712020
where:
bonds (distance) C4'-P energy: -74.149
bonds (distance) P-C4' energy: -73.715
flat angles C4'-P-C4' energy: -85.566
flat angles P-C4'-P energy: -53.670
tors. eta vs tors. theta energy: -110.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -995.207194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.207194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.207194 (E_RNA)
where:
Base-Base interactions energy: -635.874
where: short stacking energy: -274.976
Base-Backbone interact. energy: -1.623
local terms energy: -357.709704
where:
bonds (distance) C4'-P energy: -80.512
bonds (distance) P-C4' energy: -88.624
flat angles C4'-P-C4' energy: -77.518
flat angles P-C4'-P energy: -62.303
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -898.950496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.950496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.950496 (E_RNA)
where:
Base-Base interactions energy: -574.367
where: short stacking energy: -246.419
Base-Backbone interact. energy: -1.116
local terms energy: -323.467022
where:
bonds (distance) C4'-P energy: -69.397
bonds (distance) P-C4' energy: -76.692
flat angles C4'-P-C4' energy: -69.177
flat angles P-C4'-P energy: -65.580
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -807.806252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.806252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.806252 (E_RNA)
where:
Base-Base interactions energy: -495.720
where: short stacking energy: -241.764
Base-Backbone interact. energy: -1.648
local terms energy: -310.437958
where:
bonds (distance) C4'-P energy: -76.487
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -81.433
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -31.010
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: 271
Temperature: 1.350000
Total energy: -575.804759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.804759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.804759 (E_RNA)
where:
Base-Base interactions energy: -293.570
where: short stacking energy: -142.694
Base-Backbone interact. energy: 0.195
local terms energy: -282.429998
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -86.284
flat angles C4'-P-C4' energy: -71.679
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1669.321821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.321821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.321821 (E_RNA)
where:
Base-Base interactions energy: -1163.233
where: short stacking energy: -507.841
Base-Backbone interact. energy: -1.002
local terms energy: -505.086572
where:
bonds (distance) C4'-P energy: -92.750
bonds (distance) P-C4' energy: -88.779
flat angles C4'-P-C4' energy: -111.340
flat angles P-C4'-P energy: -68.284
tors. eta vs tors. theta energy: -143.933
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: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1590.363110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.363110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.363110 (E_RNA)
where:
Base-Base interactions energy: -1101.858
where: short stacking energy: -489.596
Base-Backbone interact. energy: -0.915
local terms energy: -487.589973
where:
bonds (distance) C4'-P energy: -78.670
bonds (distance) P-C4' energy: -99.734
flat angles C4'-P-C4' energy: -94.592
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -141.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1563.255517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.255517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.255517 (E_RNA)
where:
Base-Base interactions energy: -1103.627
where: short stacking energy: -451.888
Base-Backbone interact. energy: -4.017
local terms energy: -455.611799
where:
bonds (distance) C4'-P energy: -89.735
bonds (distance) P-C4' energy: -84.723
flat angles C4'-P-C4' energy: -101.924
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -117.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1528.579764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.579764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.579764 (E_RNA)
where:
Base-Base interactions energy: -1063.865
where: short stacking energy: -477.403
Base-Backbone interact. energy: -3.742
local terms energy: -460.972495
where:
bonds (distance) C4'-P energy: -78.784
bonds (distance) P-C4' energy: -82.037
flat angles C4'-P-C4' energy: -104.649
flat angles P-C4'-P energy: -66.731
tors. eta vs tors. theta energy: -128.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1388.330718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.330718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.330718 (E_RNA)
where:
Base-Base interactions energy: -931.005
where: short stacking energy: -431.535
Base-Backbone interact. energy: -0.588
local terms energy: -456.737041
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -82.865
flat angles C4'-P-C4' energy: -99.757
flat angles P-C4'-P energy: -55.856
tors. eta vs tors. theta energy: -127.079
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1297.666885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.666885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.666885 (E_RNA)
where:
Base-Base interactions energy: -858.924
where: short stacking energy: -386.622
Base-Backbone interact. energy: 0.725
local terms energy: -439.467755
where:
bonds (distance) C4'-P energy: -81.410
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -96.308
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -117.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -965.418493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.418493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.418493 (E_RNA)
where:
Base-Base interactions energy: -602.035
where: short stacking energy: -302.065
Base-Backbone interact. energy: -0.918
local terms energy: -362.465577
where:
bonds (distance) C4'-P energy: -64.391
bonds (distance) P-C4' energy: -84.426
flat angles C4'-P-C4' energy: -85.962
flat angles P-C4'-P energy: -57.826
tors. eta vs tors. theta energy: -69.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -939.939054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.939054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.939054 (E_RNA)
where:
Base-Base interactions energy: -606.231
where: short stacking energy: -301.900
Base-Backbone interact. energy: -1.208
local terms energy: -332.500084
where:
bonds (distance) C4'-P energy: -72.278
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -80.356
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -63.873
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -814.564425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.564425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.564425 (E_RNA)
where:
Base-Base interactions energy: -493.304
where: short stacking energy: -224.471
Base-Backbone interact. energy: -0.834
local terms energy: -320.426342
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -78.158
flat angles C4'-P-C4' energy: -76.658
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -44.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -627.338500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.338500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.338500 (E_RNA)
where:
Base-Base interactions energy: -312.759
where: short stacking energy: -177.273
Base-Backbone interact. energy: -0.397
local terms energy: -314.182964
where:
bonds (distance) C4'-P energy: -83.063
bonds (distance) P-C4' energy: -84.974
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -47.456
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1662.478986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.478986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.478986 (E_RNA)
where:
Base-Base interactions energy: -1163.109
where: short stacking energy: -522.740
Base-Backbone interact. energy: -3.623
local terms energy: -495.746707
where:
bonds (distance) C4'-P energy: -95.240
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -102.570
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -136.153
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1577.330140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.330140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.330140 (E_RNA)
where:
Base-Base interactions energy: -1090.493
where: short stacking energy: -492.664
Base-Backbone interact. energy: -1.273
local terms energy: -485.564946
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -105.232
flat angles P-C4'-P energy: -68.338
tors. eta vs tors. theta energy: -142.898
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: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1547.167870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.167870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.167870 (E_RNA)
where:
Base-Base interactions energy: -1093.246
where: short stacking energy: -444.472
Base-Backbone interact. energy: 0.783
local terms energy: -454.705284
where:
bonds (distance) C4'-P energy: -83.431
bonds (distance) P-C4' energy: -99.688
flat angles C4'-P-C4' energy: -90.534
flat angles P-C4'-P energy: -56.915
tors. eta vs tors. theta energy: -124.137
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: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1468.060319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.060319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.060319 (E_RNA)
where:
Base-Base interactions energy: -1037.181
where: short stacking energy: -451.103
Base-Backbone interact. energy: -0.582
local terms energy: -430.296921
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -78.079
flat angles C4'-P-C4' energy: -97.481
flat angles P-C4'-P energy: -68.003
tors. eta vs tors. theta energy: -110.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1310.310225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.310225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.310225 (E_RNA)
where:
Base-Base interactions energy: -888.720
where: short stacking energy: -394.047
Base-Backbone interact. energy: -2.177
local terms energy: -419.412382
where:
bonds (distance) C4'-P energy: -67.187
bonds (distance) P-C4' energy: -92.131
flat angles C4'-P-C4' energy: -90.849
flat angles P-C4'-P energy: -58.290
tors. eta vs tors. theta energy: -110.956
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: 273
Temperature: 1.150000
Total energy: -1311.376566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.376566 (E_RNA)
where:
Base-Base interactions energy: -895.419
where: short stacking energy: -390.309
Base-Backbone interact. energy: 1.774
local terms energy: -417.731077
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -88.661
flat angles P-C4'-P energy: -53.854
tors. eta vs tors. theta energy: -107.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -936.712656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.712656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.712656 (E_RNA)
where:
Base-Base interactions energy: -597.806
where: short stacking energy: -286.858
Base-Backbone interact. energy: 0.003
local terms energy: -338.909734
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -88.742
flat angles C4'-P-C4' energy: -82.343
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -55.038
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -915.067361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.067361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.067361 (E_RNA)
where:
Base-Base interactions energy: -577.044
where: short stacking energy: -266.061
Base-Backbone interact. energy: -2.087
local terms energy: -335.936242
where:
bonds (distance) C4'-P energy: -72.343
bonds (distance) P-C4' energy: -85.714
flat angles C4'-P-C4' energy: -76.915
flat angles P-C4'-P energy: -51.070
tors. eta vs tors. theta energy: -49.895
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -846.159879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.159879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.159879 (E_RNA)
where:
Base-Base interactions energy: -552.485
where: short stacking energy: -264.882
Base-Backbone interact. energy: 0.076
local terms energy: -293.750740
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -76.596
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -562.824820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.824820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.824820 (E_RNA)
where:
Base-Base interactions energy: -288.617
where: short stacking energy: -153.399
Base-Backbone interact. energy: -2.557
local terms energy: -271.650687
where:
bonds (distance) C4'-P energy: -81.424
bonds (distance) P-C4' energy: -79.465
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -7.296
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1665.758609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.758609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.758609 (E_RNA)
where:
Base-Base interactions energy: -1157.539
where: short stacking energy: -524.046
Base-Backbone interact. energy: -1.447
local terms energy: -506.772908
where:
bonds (distance) C4'-P energy: -89.306
bonds (distance) P-C4' energy: -89.423
flat angles C4'-P-C4' energy: -112.232
flat angles P-C4'-P energy: -72.603
tors. eta vs tors. theta energy: -143.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1578.369938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.369938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.369938 (E_RNA)
where:
Base-Base interactions energy: -1088.420
where: short stacking energy: -487.693
Base-Backbone interact. energy: -0.775
local terms energy: -489.174157
where:
bonds (distance) C4'-P energy: -81.952
bonds (distance) P-C4' energy: -92.634
flat angles C4'-P-C4' energy: -97.974
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -147.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1543.513236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.513236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.513236 (E_RNA)
where:
Base-Base interactions energy: -1065.322
where: short stacking energy: -467.856
Base-Backbone interact. energy: 1.904
local terms energy: -480.094354
where:
bonds (distance) C4'-P energy: -84.146
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -60.699
tors. eta vs tors. theta energy: -128.564
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: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1470.194926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.194926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.194926 (E_RNA)
where:
Base-Base interactions energy: -1036.126
where: short stacking energy: -445.997
Base-Backbone interact. energy: 4.484
local terms energy: -438.552961
where:
bonds (distance) C4'-P energy: -85.312
bonds (distance) P-C4' energy: -83.005
flat angles C4'-P-C4' energy: -94.033
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -117.056
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: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1372.253643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.253643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.253643 (E_RNA)
where:
Base-Base interactions energy: -942.157
where: short stacking energy: -411.705
Base-Backbone interact. energy: -1.624
local terms energy: -428.472142
where:
bonds (distance) C4'-P energy: -79.729
bonds (distance) P-C4' energy: -75.329
flat angles C4'-P-C4' energy: -98.329
flat angles P-C4'-P energy: -60.008
tors. eta vs tors. theta energy: -115.077
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: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1271.325418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.325418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.325418 (E_RNA)
where:
Base-Base interactions energy: -879.865
where: short stacking energy: -387.754
Base-Backbone interact. energy: -2.099
local terms energy: -389.361227
where:
bonds (distance) C4'-P energy: -63.771
bonds (distance) P-C4' energy: -78.003
flat angles C4'-P-C4' energy: -89.727
flat angles P-C4'-P energy: -55.599
tors. eta vs tors. theta energy: -102.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1014.610633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.610633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.610633 (E_RNA)
where:
Base-Base interactions energy: -656.722
where: short stacking energy: -309.243
Base-Backbone interact. energy: -1.861
local terms energy: -356.027661
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -75.375
flat angles C4'-P-C4' energy: -85.731
flat angles P-C4'-P energy: -55.648
tors. eta vs tors. theta energy: -60.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -960.736631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.736631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.736631 (E_RNA)
where:
Base-Base interactions energy: -634.539
where: short stacking energy: -310.883
Base-Backbone interact. energy: -3.742
local terms energy: -322.455849
where:
bonds (distance) C4'-P energy: -64.857
bonds (distance) P-C4' energy: -84.151
flat angles C4'-P-C4' energy: -69.711
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -56.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -779.517549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.517549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.517549 (E_RNA)
where:
Base-Base interactions energy: -498.221
where: short stacking energy: -225.726
Base-Backbone interact. energy: 1.208
local terms energy: -282.504942
where:
bonds (distance) C4'-P energy: -69.373
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -53.181
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -27.919
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -537.992981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.992981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.992981 (E_RNA)
where:
Base-Base interactions energy: -277.964
where: short stacking energy: -154.086
Base-Backbone interact. energy: 1.210
local terms energy: -261.238750
where:
bonds (distance) C4'-P energy: -79.881
bonds (distance) P-C4' energy: -69.182
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -13.037
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1676.150999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.150999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.150999 (E_RNA)
where:
Base-Base interactions energy: -1171.442
where: short stacking energy: -527.061
Base-Backbone interact. energy: -2.433
local terms energy: -502.275854
where:
bonds (distance) C4'-P energy: -85.370
bonds (distance) P-C4' energy: -90.005
flat angles C4'-P-C4' energy: -109.163
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -138.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1571.857627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.857627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.857627 (E_RNA)
where:
Base-Base interactions energy: -1096.212
where: short stacking energy: -495.859
Base-Backbone interact. energy: -1.362
local terms energy: -474.284238
where:
bonds (distance) C4'-P energy: -73.900
bonds (distance) P-C4' energy: -89.593
flat angles C4'-P-C4' energy: -94.627
flat angles P-C4'-P energy: -76.042
tors. eta vs tors. theta energy: -140.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1535.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.940233 (E_RNA)
where:
Base-Base interactions energy: -1073.959
where: short stacking energy: -466.797
Base-Backbone interact. energy: -3.632
local terms energy: -458.348820
where:
bonds (distance) C4'-P energy: -87.697
bonds (distance) P-C4' energy: -69.357
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -75.146
tors. eta vs tors. theta energy: -126.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1461.295601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.295601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.295601 (E_RNA)
where:
Base-Base interactions energy: -1031.909
where: short stacking energy: -436.830
Base-Backbone interact. energy: -1.900
local terms energy: -427.486164
where:
bonds (distance) C4'-P energy: -79.766
bonds (distance) P-C4' energy: -76.962
flat angles C4'-P-C4' energy: -87.264
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -122.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1393.618210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.618210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.618210 (E_RNA)
where:
Base-Base interactions energy: -924.437
where: short stacking energy: -434.096
Base-Backbone interact. energy: -3.667
local terms energy: -465.514289
where:
bonds (distance) C4'-P energy: -84.436
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -64.877
tors. eta vs tors. theta energy: -126.108
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: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1255.492307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.492307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.492307 (E_RNA)
where:
Base-Base interactions energy: -840.986
where: short stacking energy: -387.527
Base-Backbone interact. energy: 0.050
local terms energy: -414.556401
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -76.454
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -103.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1022.670737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.670737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.670737 (E_RNA)
where:
Base-Base interactions energy: -650.496
where: short stacking energy: -311.641
Base-Backbone interact. energy: -2.412
local terms energy: -369.762997
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -78.738
flat angles C4'-P-C4' energy: -77.654
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -76.157
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: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -933.415972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.415972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.415972 (E_RNA)
where:
Base-Base interactions energy: -597.116
where: short stacking energy: -247.804
Base-Backbone interact. energy: 0.370
local terms energy: -336.670303
where:
bonds (distance) C4'-P energy: -76.356
bonds (distance) P-C4' energy: -86.200
flat angles C4'-P-C4' energy: -86.800
flat angles P-C4'-P energy: -40.233
tors. eta vs tors. theta energy: -47.081
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -823.218861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.218861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.218861 (E_RNA)
where:
Base-Base interactions energy: -488.814
where: short stacking energy: -228.301
Base-Backbone interact. energy: -1.197
local terms energy: -333.207850
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -88.405
flat angles C4'-P-C4' energy: -73.978
flat angles P-C4'-P energy: -54.148
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -574.052805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.052805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.052805 (E_RNA)
where:
Base-Base interactions energy: -304.999
where: short stacking energy: -150.474
Base-Backbone interact. energy: -3.975
local terms energy: -265.078795
where:
bonds (distance) C4'-P energy: -84.023
bonds (distance) P-C4' energy: -75.195
flat angles C4'-P-C4' energy: -71.466
flat angles P-C4'-P energy: -34.959
tors. eta vs tors. theta energy: 0.564
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: 276
Temperature: 0.900000
Total energy: -1663.472795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.472795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.472795 (E_RNA)
where:
Base-Base interactions energy: -1148.404
where: short stacking energy: -512.939
Base-Backbone interact. energy: -0.013
local terms energy: -515.055841
where:
bonds (distance) C4'-P energy: -83.362
bonds (distance) P-C4' energy: -95.397
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -82.656
tors. eta vs tors. theta energy: -142.848
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: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1595.995750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.995750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.995750 (E_RNA)
where:
Base-Base interactions energy: -1097.386
where: short stacking energy: -481.672
Base-Backbone interact. energy: -0.611
local terms energy: -497.998499
where:
bonds (distance) C4'-P energy: -92.093
bonds (distance) P-C4' energy: -92.674
flat angles C4'-P-C4' energy: -107.682
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -141.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1519.147737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.147737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.147737 (E_RNA)
where:
Base-Base interactions energy: -1057.378
where: short stacking energy: -433.739
Base-Backbone interact. energy: -1.632
local terms energy: -460.137751
where:
bonds (distance) C4'-P energy: -81.667
bonds (distance) P-C4' energy: -87.781
flat angles C4'-P-C4' energy: -111.712
flat angles P-C4'-P energy: -58.389
tors. eta vs tors. theta energy: -120.589
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: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1508.038084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.038084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.038084 (E_RNA)
where:
Base-Base interactions energy: -1068.444
where: short stacking energy: -467.891
Base-Backbone interact. energy: -3.402
local terms energy: -436.191622
where:
bonds (distance) C4'-P energy: -68.308
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -89.257
flat angles P-C4'-P energy: -69.473
tors. eta vs tors. theta energy: -124.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1418.190543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.190543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.190543 (E_RNA)
where:
Base-Base interactions energy: -987.465
where: short stacking energy: -431.192
Base-Backbone interact. energy: 4.013
local terms energy: -434.738117
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -82.524
flat angles C4'-P-C4' energy: -103.780
flat angles P-C4'-P energy: -62.907
tors. eta vs tors. theta energy: -123.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1243.846203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.846203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.846203 (E_RNA)
where:
Base-Base interactions energy: -833.611
where: short stacking energy: -361.769
Base-Backbone interact. energy: -2.174
local terms energy: -408.061346
where:
bonds (distance) C4'-P energy: -72.175
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -93.083
flat angles P-C4'-P energy: -66.365
tors. eta vs tors. theta energy: -91.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1077.876557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.876557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.876557 (E_RNA)
where:
Base-Base interactions energy: -721.175
where: short stacking energy: -336.367
Base-Backbone interact. energy: 2.132
local terms energy: -358.833647
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -68.715
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -88.596
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: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -944.022738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.022738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.022738 (E_RNA)
where:
Base-Base interactions energy: -607.587
where: short stacking energy: -284.970
Base-Backbone interact. energy: -0.766
local terms energy: -335.669932
where:
bonds (distance) C4'-P energy: -75.803
bonds (distance) P-C4' energy: -75.241
flat angles C4'-P-C4' energy: -76.008
flat angles P-C4'-P energy: -56.314
tors. eta vs tors. theta energy: -52.305
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: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -896.399254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.399254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.399254 (E_RNA)
where:
Base-Base interactions energy: -608.073
where: short stacking energy: -279.462
Base-Backbone interact. energy: 1.215
local terms energy: -289.540967
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -56.916
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -48.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -530.791882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.791882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.791882 (E_RNA)
where:
Base-Base interactions energy: -256.658
where: short stacking energy: -137.666
Base-Backbone interact. energy: -0.681
local terms energy: -273.453209
where:
bonds (distance) C4'-P energy: -82.710
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -6.881
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: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1668.429161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.429161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.429161 (E_RNA)
where:
Base-Base interactions energy: -1156.095
where: short stacking energy: -490.041
Base-Backbone interact. energy: -2.431
local terms energy: -509.902488
where:
bonds (distance) C4'-P energy: -92.011
bonds (distance) P-C4' energy: -94.115
flat angles C4'-P-C4' energy: -104.182
flat angles P-C4'-P energy: -77.194
tors. eta vs tors. theta energy: -142.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1576.955114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.955114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.955114 (E_RNA)
where:
Base-Base interactions energy: -1074.580
where: short stacking energy: -481.191
Base-Backbone interact. energy: -0.902
local terms energy: -501.472532
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -86.315
flat angles C4'-P-C4' energy: -105.292
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -138.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1503.478838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.478838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.478838 (E_RNA)
where:
Base-Base interactions energy: -1063.197
where: short stacking energy: -443.614
Base-Backbone interact. energy: -0.208
local terms energy: -440.073660
where:
bonds (distance) C4'-P energy: -86.378
bonds (distance) P-C4' energy: -89.950
flat angles C4'-P-C4' energy: -91.357
flat angles P-C4'-P energy: -66.265
tors. eta vs tors. theta energy: -106.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1516.414466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.414466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.414466 (E_RNA)
where:
Base-Base interactions energy: -1053.173
where: short stacking energy: -455.725
Base-Backbone interact. energy: -2.688
local terms energy: -460.554102
where:
bonds (distance) C4'-P energy: -79.736
bonds (distance) P-C4' energy: -82.007
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -70.736
tors. eta vs tors. theta energy: -123.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1366.668295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.668295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.668295 (E_RNA)
where:
Base-Base interactions energy: -931.014
where: short stacking energy: -411.486
Base-Backbone interact. energy: -2.154
local terms energy: -433.500645
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -88.617
flat angles P-C4'-P energy: -54.339
tors. eta vs tors. theta energy: -110.856
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: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1330.549113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.549113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.549113 (E_RNA)
where:
Base-Base interactions energy: -932.816
where: short stacking energy: -409.658
Base-Backbone interact. energy: -1.444
local terms energy: -396.289265
where:
bonds (distance) C4'-P energy: -82.379
bonds (distance) P-C4' energy: -70.177
flat angles C4'-P-C4' energy: -73.877
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -114.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1048.143382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.143382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.143382 (E_RNA)
where:
Base-Base interactions energy: -684.829
where: short stacking energy: -355.933
Base-Backbone interact. energy: -1.989
local terms energy: -361.324895
where:
bonds (distance) C4'-P energy: -67.627
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -85.820
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -79.045
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: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -959.277613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.277613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.277613 (E_RNA)
where:
Base-Base interactions energy: -639.373
where: short stacking energy: -288.286
Base-Backbone interact. energy: 0.859
local terms energy: -320.764121
where:
bonds (distance) C4'-P energy: -59.372
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -55.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -919.133744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.133744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.133744 (E_RNA)
where:
Base-Base interactions energy: -620.660
where: short stacking energy: -288.501
Base-Backbone interact. energy: -1.646
local terms energy: -296.827731
where:
bonds (distance) C4'-P energy: -64.117
bonds (distance) P-C4' energy: -62.992
flat angles C4'-P-C4' energy: -66.806
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -56.167
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -571.067601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.067601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.067601 (E_RNA)
where:
Base-Base interactions energy: -314.209
where: short stacking energy: -197.796
Base-Backbone interact. energy: -1.716
local terms energy: -255.142707
where:
bonds (distance) C4'-P energy: -67.473
bonds (distance) P-C4' energy: -67.892
flat angles C4'-P-C4' energy: -70.894
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -12.966
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: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1660.215140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.215140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.215140 (E_RNA)
where:
Base-Base interactions energy: -1143.606
where: short stacking energy: -506.043
Base-Backbone interact. energy: -2.803
local terms energy: -513.806512
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -81.031
tors. eta vs tors. theta energy: -142.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1572.082108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.082108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.082108 (E_RNA)
where:
Base-Base interactions energy: -1073.303
where: short stacking energy: -497.074
Base-Backbone interact. energy: -0.833
local terms energy: -497.946235
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -88.357
flat angles C4'-P-C4' energy: -100.886
flat angles P-C4'-P energy: -78.780
tors. eta vs tors. theta energy: -139.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1531.932814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.932814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.932814 (E_RNA)
where:
Base-Base interactions energy: -1063.727
where: short stacking energy: -474.106
Base-Backbone interact. energy: -2.302
local terms energy: -465.904180
where:
bonds (distance) C4'-P energy: -86.658
bonds (distance) P-C4' energy: -85.375
flat angles C4'-P-C4' energy: -100.345
flat angles P-C4'-P energy: -62.346
tors. eta vs tors. theta energy: -131.179
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: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1456.402849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.402849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.402849 (E_RNA)
where:
Base-Base interactions energy: -1022.886
where: short stacking energy: -421.435
Base-Backbone interact. energy: 0.482
local terms energy: -433.998594
where:
bonds (distance) C4'-P energy: -80.977
bonds (distance) P-C4' energy: -84.183
flat angles C4'-P-C4' energy: -91.745
flat angles P-C4'-P energy: -62.900
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1355.541104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.541104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.541104 (E_RNA)
where:
Base-Base interactions energy: -919.229
where: short stacking energy: -400.409
Base-Backbone interact. energy: -1.697
local terms energy: -434.614868
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -87.454
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -50.393
tors. eta vs tors. theta energy: -109.713
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: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1268.767499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.767499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.767499 (E_RNA)
where:
Base-Base interactions energy: -861.300
where: short stacking energy: -394.735
Base-Backbone interact. energy: -1.516
local terms energy: -405.951864
where:
bonds (distance) C4'-P energy: -82.243
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -90.767
flat angles P-C4'-P energy: -55.012
tors. eta vs tors. theta energy: -101.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1047.855236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.855236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.855236 (E_RNA)
where:
Base-Base interactions energy: -661.804
where: short stacking energy: -312.311
Base-Backbone interact. energy: 0.407
local terms energy: -386.458671
where:
bonds (distance) C4'-P energy: -82.326
bonds (distance) P-C4' energy: -90.374
flat angles C4'-P-C4' energy: -92.291
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -76.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1009.046091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.046091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.046091 (E_RNA)
where:
Base-Base interactions energy: -677.887
where: short stacking energy: -321.769
Base-Backbone interact. energy: 5.388
local terms energy: -336.547413
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -76.389
flat angles C4'-P-C4' energy: -74.658
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -69.510
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: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -957.577934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.577934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.577934 (E_RNA)
where:
Base-Base interactions energy: -612.400
where: short stacking energy: -296.416
Base-Backbone interact. energy: -1.424
local terms energy: -343.754506
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -86.980
flat angles C4'-P-C4' energy: -85.276
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -65.271
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: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -556.679963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.679963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.679963 (E_RNA)
where:
Base-Base interactions energy: -305.120
where: short stacking energy: -167.470
Base-Backbone interact. energy: -0.967
local terms energy: -250.593186
where:
bonds (distance) C4'-P energy: -50.709
bonds (distance) P-C4' energy: -87.390
flat angles C4'-P-C4' energy: -77.484
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: 8.774
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: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1658.426931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.426931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.426931 (E_RNA)
where:
Base-Base interactions energy: -1147.036
where: short stacking energy: -502.139
Base-Backbone interact. energy: -3.055
local terms energy: -508.336122
where:
bonds (distance) C4'-P energy: -81.597
bonds (distance) P-C4' energy: -97.034
flat angles C4'-P-C4' energy: -114.055
flat angles P-C4'-P energy: -73.284
tors. eta vs tors. theta energy: -142.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1582.425387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.425387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.425387 (E_RNA)
where:
Base-Base interactions energy: -1077.286
where: short stacking energy: -508.148
Base-Backbone interact. energy: -0.557
local terms energy: -504.582204
where:
bonds (distance) C4'-P energy: -95.033
bonds (distance) P-C4' energy: -86.473
flat angles C4'-P-C4' energy: -100.715
flat angles P-C4'-P energy: -76.375
tors. eta vs tors. theta energy: -145.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1544.977700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.977700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.977700 (E_RNA)
where:
Base-Base interactions energy: -1082.855
where: short stacking energy: -482.399
Base-Backbone interact. energy: -3.262
local terms energy: -458.860928
where:
bonds (distance) C4'-P energy: -89.030
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -95.062
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -128.335
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: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1426.362054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.362054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.362054 (E_RNA)
where:
Base-Base interactions energy: -976.825
where: short stacking energy: -403.061
Base-Backbone interact. energy: -0.079
local terms energy: -449.457330
where:
bonds (distance) C4'-P energy: -89.945
bonds (distance) P-C4' energy: -80.026
flat angles C4'-P-C4' energy: -98.960
flat angles P-C4'-P energy: -68.604
tors. eta vs tors. theta energy: -111.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1345.472484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.472484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.472484 (E_RNA)
where:
Base-Base interactions energy: -916.368
where: short stacking energy: -424.206
Base-Backbone interact. energy: -0.928
local terms energy: -428.177343
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -77.549
flat angles C4'-P-C4' energy: -98.375
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -118.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1242.674795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.674795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.674795 (E_RNA)
where:
Base-Base interactions energy: -849.275
where: short stacking energy: -377.614
Base-Backbone interact. energy: -1.665
local terms energy: -391.734477
where:
bonds (distance) C4'-P energy: -77.287
bonds (distance) P-C4' energy: -71.403
flat angles C4'-P-C4' energy: -83.537
flat angles P-C4'-P energy: -69.279
tors. eta vs tors. theta energy: -90.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1086.890794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.890794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.890794 (E_RNA)
where:
Base-Base interactions energy: -718.517
where: short stacking energy: -328.791
Base-Backbone interact. energy: -1.156
local terms energy: -367.217265
where:
bonds (distance) C4'-P energy: -69.803
bonds (distance) P-C4' energy: -75.287
flat angles C4'-P-C4' energy: -87.145
flat angles P-C4'-P energy: -47.025
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: 279
Temperature: 1.250000
Total energy: -957.691990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.691990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.691990 (E_RNA)
where:
Base-Base interactions energy: -620.232
where: short stacking energy: -288.462
Base-Backbone interact. energy: -0.199
local terms energy: -337.260667
where:
bonds (distance) C4'-P energy: -78.492
bonds (distance) P-C4' energy: -80.640
flat angles C4'-P-C4' energy: -75.435
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -51.503
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: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -885.636756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.636756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.636756 (E_RNA)
where:
Base-Base interactions energy: -577.994
where: short stacking energy: -266.759
Base-Backbone interact. energy: -0.084
local terms energy: -307.558893
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -68.697
flat angles C4'-P-C4' energy: -71.737
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -48.641
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: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -543.287879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.287879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.287879 (E_RNA)
where:
Base-Base interactions energy: -290.360
where: short stacking energy: -156.717
Base-Backbone interact. energy: 0.397
local terms energy: -253.325564
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -67.513
flat angles C4'-P-C4' energy: -59.036
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1652.746153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.746153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.746153 (E_RNA)
where:
Base-Base interactions energy: -1115.884
where: short stacking energy: -517.141
Base-Backbone interact. energy: -0.794
local terms energy: -536.068174
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -109.927
flat angles P-C4'-P energy: -83.560
tors. eta vs tors. theta energy: -153.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1629.475682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.475682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.475682 (E_RNA)
where:
Base-Base interactions energy: -1134.547
where: short stacking energy: -495.078
Base-Backbone interact. energy: -4.284
local terms energy: -490.643875
where:
bonds (distance) C4'-P energy: -92.329
bonds (distance) P-C4' energy: -82.865
flat angles C4'-P-C4' energy: -112.191
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: -134.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1536.142207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.142207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.142207 (E_RNA)
where:
Base-Base interactions energy: -1068.526
where: short stacking energy: -445.312
Base-Backbone interact. energy: -2.752
local terms energy: -464.864173
where:
bonds (distance) C4'-P energy: -88.127
bonds (distance) P-C4' energy: -81.555
flat angles C4'-P-C4' energy: -96.977
flat angles P-C4'-P energy: -67.827
tors. eta vs tors. theta energy: -130.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1488.290310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.290310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.290310 (E_RNA)
where:
Base-Base interactions energy: -1076.837
where: short stacking energy: -430.566
Base-Backbone interact. energy: -3.153
local terms energy: -408.300343
where:
bonds (distance) C4'-P energy: -79.034
bonds (distance) P-C4' energy: -68.108
flat angles C4'-P-C4' energy: -90.416
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -118.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1330.968670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.968670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.968670 (E_RNA)
where:
Base-Base interactions energy: -917.572
where: short stacking energy: -431.241
Base-Backbone interact. energy: -1.004
local terms energy: -412.393488
where:
bonds (distance) C4'-P energy: -70.002
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -100.116
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -121.594
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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1260.050804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.050804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.050804 (E_RNA)
where:
Base-Base interactions energy: -855.660
where: short stacking energy: -396.875
Base-Backbone interact. energy: 0.054
local terms energy: -404.445257
where:
bonds (distance) C4'-P energy: -76.155
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -92.523
flat angles P-C4'-P energy: -57.504
tors. eta vs tors. theta energy: -108.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1081.915340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.915340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.915340 (E_RNA)
where:
Base-Base interactions energy: -685.642
where: short stacking energy: -313.937
Base-Backbone interact. energy: 0.834
local terms energy: -397.107324
where:
bonds (distance) C4'-P energy: -91.403
bonds (distance) P-C4' energy: -79.852
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -71.538
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: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1015.158350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.158350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.158350 (E_RNA)
where:
Base-Base interactions energy: -692.647
where: short stacking energy: -298.433
Base-Backbone interact. energy: 2.115
local terms energy: -324.626171
where:
bonds (distance) C4'-P energy: -73.871
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -86.324
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: -59.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -886.024105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.024105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.024105 (E_RNA)
where:
Base-Base interactions energy: -586.423
where: short stacking energy: -284.176
Base-Backbone interact. energy: -0.606
local terms energy: -298.994711
where:
bonds (distance) C4'-P energy: -67.190
bonds (distance) P-C4' energy: -75.484
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -52.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -636.719162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.719162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.719162 (E_RNA)
where:
Base-Base interactions energy: -376.932
where: short stacking energy: -165.525
Base-Backbone interact. energy: -3.097
local terms energy: -256.690392
where:
bonds (distance) C4'-P energy: -69.168
bonds (distance) P-C4' energy: -78.565
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1615.954315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.954315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.954315 (E_RNA)
where:
Base-Base interactions energy: -1107.643
where: short stacking energy: -501.003
Base-Backbone interact. energy: -2.773
local terms energy: -505.538807
where:
bonds (distance) C4'-P energy: -84.593
bonds (distance) P-C4' energy: -89.369
flat angles C4'-P-C4' energy: -109.918
flat angles P-C4'-P energy: -72.368
tors. eta vs tors. theta energy: -149.290
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: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1657.100822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.100822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.100822 (E_RNA)
where:
Base-Base interactions energy: -1154.585
where: short stacking energy: -515.341
Base-Backbone interact. energy: -3.603
local terms energy: -498.913179
where:
bonds (distance) C4'-P energy: -83.804
bonds (distance) P-C4' energy: -90.752
flat angles C4'-P-C4' energy: -107.384
flat angles P-C4'-P energy: -74.275
tors. eta vs tors. theta energy: -142.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1567.292035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.292035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.292035 (E_RNA)
where:
Base-Base interactions energy: -1096.268
where: short stacking energy: -476.192
Base-Backbone interact. energy: -3.011
local terms energy: -468.013331
where:
bonds (distance) C4'-P energy: -75.562
bonds (distance) P-C4' energy: -87.507
flat angles C4'-P-C4' energy: -108.509
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: -127.335
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1472.357294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.357294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.357294 (E_RNA)
where:
Base-Base interactions energy: -1040.126
where: short stacking energy: -423.205
Base-Backbone interact. energy: 1.825
local terms energy: -434.056526
where:
bonds (distance) C4'-P energy: -78.382
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -97.904
flat angles P-C4'-P energy: -64.550
tors. eta vs tors. theta energy: -123.758
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1354.286009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.286009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.286009 (E_RNA)
where:
Base-Base interactions energy: -925.396
where: short stacking energy: -417.045
Base-Backbone interact. energy: 0.048
local terms energy: -428.937934
where:
bonds (distance) C4'-P energy: -77.983
bonds (distance) P-C4' energy: -82.575
flat angles C4'-P-C4' energy: -89.084
flat angles P-C4'-P energy: -55.056
tors. eta vs tors. theta energy: -124.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1305.241437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.241437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.241437 (E_RNA)
where:
Base-Base interactions energy: -873.065
where: short stacking energy: -412.724
Base-Backbone interact. energy: -1.435
local terms energy: -430.740778
where:
bonds (distance) C4'-P energy: -82.725
bonds (distance) P-C4' energy: -85.934
flat angles C4'-P-C4' energy: -91.821
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -118.278
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: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1050.348868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.348868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.348868 (E_RNA)
where:
Base-Base interactions energy: -674.216
where: short stacking energy: -312.131
Base-Backbone interact. energy: -1.839
local terms energy: -374.294616
where:
bonds (distance) C4'-P energy: -83.979
bonds (distance) P-C4' energy: -85.320
flat angles C4'-P-C4' energy: -73.137
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -73.260
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -962.484646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.484646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.484646 (E_RNA)
where:
Base-Base interactions energy: -633.256
where: short stacking energy: -269.773
Base-Backbone interact. energy: -0.537
local terms energy: -328.692097
where:
bonds (distance) C4'-P energy: -73.480
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -81.732
flat angles P-C4'-P energy: -49.122
tors. eta vs tors. theta energy: -56.809
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: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -885.188249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.188249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.188249 (E_RNA)
where:
Base-Base interactions energy: -569.783
where: short stacking energy: -253.150
Base-Backbone interact. energy: 6.367
local terms energy: -321.772247
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -78.821
flat angles C4'-P-C4' energy: -89.045
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -51.166
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -621.941329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.941329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.941329 (E_RNA)
where:
Base-Base interactions energy: -349.960
where: short stacking energy: -193.631
Base-Backbone interact. energy: 0.515
local terms energy: -272.496623
where:
bonds (distance) C4'-P energy: -69.992
bonds (distance) P-C4' energy: -78.952
flat angles C4'-P-C4' energy: -68.121
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -12.162
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: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1679.005015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.005015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.005015 (E_RNA)
where:
Base-Base interactions energy: -1164.285
where: short stacking energy: -509.740
Base-Backbone interact. energy: -1.545
local terms energy: -513.174959
where:
bonds (distance) C4'-P energy: -102.908
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -105.800
flat angles P-C4'-P energy: -71.563
tors. eta vs tors. theta energy: -142.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1598.345371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.345371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.345371 (E_RNA)
where:
Base-Base interactions energy: -1096.425
where: short stacking energy: -516.838
Base-Backbone interact. energy: -1.463
local terms energy: -500.456902
where:
bonds (distance) C4'-P energy: -74.950
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -106.143
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -157.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1533.634533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.634533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.634533 (E_RNA)
where:
Base-Base interactions energy: -1049.840
where: short stacking energy: -459.027
Base-Backbone interact. energy: -3.872
local terms energy: -479.921951
where:
bonds (distance) C4'-P energy: -87.207
bonds (distance) P-C4' energy: -92.197
flat angles C4'-P-C4' energy: -98.216
flat angles P-C4'-P energy: -75.643
tors. eta vs tors. theta energy: -126.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1469.139801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.139801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.139801 (E_RNA)
where:
Base-Base interactions energy: -1031.866
where: short stacking energy: -431.208
Base-Backbone interact. energy: -2.128
local terms energy: -435.145933
where:
bonds (distance) C4'-P energy: -80.614
bonds (distance) P-C4' energy: -91.287
flat angles C4'-P-C4' energy: -89.318
flat angles P-C4'-P energy: -62.049
tors. eta vs tors. theta energy: -111.878
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: 282
Temperature: 1.100000
Total energy: -1392.349997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.349997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.349997 (E_RNA)
where:
Base-Base interactions energy: -945.864
where: short stacking energy: -429.831
Base-Backbone interact. energy: -1.719
local terms energy: -444.767023
where:
bonds (distance) C4'-P energy: -87.868
bonds (distance) P-C4' energy: -91.247
flat angles C4'-P-C4' energy: -83.333
flat angles P-C4'-P energy: -60.903
tors. eta vs tors. theta energy: -121.417
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: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1266.614577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.614577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.614577 (E_RNA)
where:
Base-Base interactions energy: -858.596
where: short stacking energy: -392.548
Base-Backbone interact. energy: -1.723
local terms energy: -406.296393
where:
bonds (distance) C4'-P energy: -78.126
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -86.166
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -97.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1055.745614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.745614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.745614 (E_RNA)
where:
Base-Base interactions energy: -719.581
where: short stacking energy: -309.291
Base-Backbone interact. energy: 2.286
local terms energy: -338.450959
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -77.207
flat angles C4'-P-C4' energy: -84.323
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -62.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -986.024949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.024949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.024949 (E_RNA)
where:
Base-Base interactions energy: -623.384
where: short stacking energy: -286.602
Base-Backbone interact. energy: -2.152
local terms energy: -360.488414
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -94.623
flat angles C4'-P-C4' energy: -74.677
flat angles P-C4'-P energy: -47.259
tors. eta vs tors. theta energy: -60.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -839.126844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.126844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.126844 (E_RNA)
where:
Base-Base interactions energy: -515.146
where: short stacking energy: -255.676
Base-Backbone interact. energy: -1.496
local terms energy: -322.485496
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -72.250
flat angles C4'-P-C4' energy: -82.492
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -50.211
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: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -637.151592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.151592 (E_RNA)
where:
Base-Base interactions energy: -349.891
where: short stacking energy: -190.671
Base-Backbone interact. energy: 4.024
local terms energy: -291.285132
where:
bonds (distance) C4'-P energy: -83.593
bonds (distance) P-C4' energy: -83.440
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1678.510029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.510029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.510029 (E_RNA)
where:
Base-Base interactions energy: -1160.203
where: short stacking energy: -514.522
Base-Backbone interact. energy: -0.725
local terms energy: -517.582677
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -92.083
flat angles C4'-P-C4' energy: -108.041
flat angles P-C4'-P energy: -75.697
tors. eta vs tors. theta energy: -153.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1573.236316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.236316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.236316 (E_RNA)
where:
Base-Base interactions energy: -1103.294
where: short stacking energy: -475.465
Base-Backbone interact. energy: -2.029
local terms energy: -467.913171
where:
bonds (distance) C4'-P energy: -77.106
bonds (distance) P-C4' energy: -97.128
flat angles C4'-P-C4' energy: -92.215
flat angles P-C4'-P energy: -70.819
tors. eta vs tors. theta energy: -130.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1587.783329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.783329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.783329 (E_RNA)
where:
Base-Base interactions energy: -1103.521
where: short stacking energy: -502.081
Base-Backbone interact. energy: -2.044
local terms energy: -482.217654
where:
bonds (distance) C4'-P energy: -91.609
bonds (distance) P-C4' energy: -79.412
flat angles C4'-P-C4' energy: -103.342
flat angles P-C4'-P energy: -59.251
tors. eta vs tors. theta energy: -148.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1469.876977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.876977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.876977 (E_RNA)
where:
Base-Base interactions energy: -1050.171
where: short stacking energy: -407.259
Base-Backbone interact. energy: 1.155
local terms energy: -420.861150
where:
bonds (distance) C4'-P energy: -87.365
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -100.164
flat angles P-C4'-P energy: -64.870
tors. eta vs tors. theta energy: -99.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1375.845285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.845285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.845285 (E_RNA)
where:
Base-Base interactions energy: -911.447
where: short stacking energy: -419.984
Base-Backbone interact. energy: -1.677
local terms energy: -462.720963
where:
bonds (distance) C4'-P energy: -99.320
bonds (distance) P-C4' energy: -83.039
flat angles C4'-P-C4' energy: -102.518
flat angles P-C4'-P energy: -62.362
tors. eta vs tors. theta energy: -115.482
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: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1270.866558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.866558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.866558 (E_RNA)
where:
Base-Base interactions energy: -854.743
where: short stacking energy: -380.482
Base-Backbone interact. energy: -1.119
local terms energy: -415.004762
where:
bonds (distance) C4'-P energy: -79.024
bonds (distance) P-C4' energy: -85.155
flat angles C4'-P-C4' energy: -90.588
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -102.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1038.113748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.113748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.113748 (E_RNA)
where:
Base-Base interactions energy: -686.968
where: short stacking energy: -324.206
Base-Backbone interact. energy: -1.595
local terms energy: -349.551476
where:
bonds (distance) C4'-P energy: -72.353
bonds (distance) P-C4' energy: -84.690
flat angles C4'-P-C4' energy: -76.875
flat angles P-C4'-P energy: -47.429
tors. eta vs tors. theta energy: -68.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -977.355021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.355021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.355021 (E_RNA)
where:
Base-Base interactions energy: -641.366
where: short stacking energy: -313.090
Base-Backbone interact. energy: 0.108
local terms energy: -336.097147
where:
bonds (distance) C4'-P energy: -64.219
bonds (distance) P-C4' energy: -81.009
flat angles C4'-P-C4' energy: -94.055
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -54.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -857.663253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.663253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.663253 (E_RNA)
where:
Base-Base interactions energy: -526.882
where: short stacking energy: -235.893
Base-Backbone interact. energy: 0.618
local terms energy: -331.398900
where:
bonds (distance) C4'-P energy: -70.991
bonds (distance) P-C4' energy: -89.421
flat angles C4'-P-C4' energy: -87.195
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -34.161
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -636.572777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.572777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.572777 (E_RNA)
where:
Base-Base interactions energy: -353.371
where: short stacking energy: -177.510
Base-Backbone interact. energy: 0.374
local terms energy: -283.574905
where:
bonds (distance) C4'-P energy: -84.420
bonds (distance) P-C4' energy: -77.685
flat angles C4'-P-C4' energy: -74.542
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1611.016047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.016047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.016047 (E_RNA)
where:
Base-Base interactions energy: -1110.448
where: short stacking energy: -487.675
Base-Backbone interact. energy: -1.586
local terms energy: -498.982111
where:
bonds (distance) C4'-P energy: -89.109
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -104.681
flat angles P-C4'-P energy: -82.757
tors. eta vs tors. theta energy: -127.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1633.844967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.844967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.844967 (E_RNA)
where:
Base-Base interactions energy: -1137.923
where: short stacking energy: -491.884
Base-Backbone interact. energy: -0.524
local terms energy: -495.397659
where:
bonds (distance) C4'-P energy: -98.833
bonds (distance) P-C4' energy: -87.216
flat angles C4'-P-C4' energy: -101.393
flat angles P-C4'-P energy: -71.732
tors. eta vs tors. theta energy: -136.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1600.075685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.075685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.075685 (E_RNA)
where:
Base-Base interactions energy: -1089.679
where: short stacking energy: -499.117
Base-Backbone interact. energy: -1.816
local terms energy: -508.580732
where:
bonds (distance) C4'-P energy: -84.676
bonds (distance) P-C4' energy: -92.124
flat angles C4'-P-C4' energy: -101.754
flat angles P-C4'-P energy: -71.851
tors. eta vs tors. theta energy: -158.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1459.914028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.914028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.914028 (E_RNA)
where:
Base-Base interactions energy: -1038.180
where: short stacking energy: -414.672
Base-Backbone interact. energy: 7.201
local terms energy: -428.935114
where:
bonds (distance) C4'-P energy: -84.041
bonds (distance) P-C4' energy: -71.748
flat angles C4'-P-C4' energy: -98.262
flat angles P-C4'-P energy: -64.271
tors. eta vs tors. theta energy: -110.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1348.365172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.365172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.365172 (E_RNA)
where:
Base-Base interactions energy: -923.605
where: short stacking energy: -407.452
Base-Backbone interact. energy: -0.779
local terms energy: -423.980729
where:
bonds (distance) C4'-P energy: -75.853
bonds (distance) P-C4' energy: -84.200
flat angles C4'-P-C4' energy: -90.798
flat angles P-C4'-P energy: -60.041
tors. eta vs tors. theta energy: -113.088
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: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1251.157354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.157354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.157354 (E_RNA)
where:
Base-Base interactions energy: -841.322
where: short stacking energy: -383.410
Base-Backbone interact. energy: -0.558
local terms energy: -409.276950
where:
bonds (distance) C4'-P energy: -76.320
bonds (distance) P-C4' energy: -88.405
flat angles C4'-P-C4' energy: -90.595
flat angles P-C4'-P energy: -55.617
tors. eta vs tors. theta energy: -98.341
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: 284
Temperature: 1.200000
Total energy: -1159.184106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.184106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.184106 (E_RNA)
where:
Base-Base interactions energy: -759.395
where: short stacking energy: -330.360
Base-Backbone interact. energy: -0.422
local terms energy: -399.367687
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -85.443
flat angles C4'-P-C4' energy: -87.233
flat angles P-C4'-P energy: -59.003
tors. eta vs tors. theta energy: -84.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -972.583858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.583858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.583858 (E_RNA)
where:
Base-Base interactions energy: -616.411
where: short stacking energy: -304.133
Base-Backbone interact. energy: -0.651
local terms energy: -355.522024
where:
bonds (distance) C4'-P energy: -73.568
bonds (distance) P-C4' energy: -87.332
flat angles C4'-P-C4' energy: -92.339
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: -59.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -875.610603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.610603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.610603 (E_RNA)
where:
Base-Base interactions energy: -564.306
where: short stacking energy: -266.406
Base-Backbone interact. energy: -0.239
local terms energy: -311.065212
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -83.798
flat angles C4'-P-C4' energy: -73.255
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -48.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -661.701738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.701738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.701738 (E_RNA)
where:
Base-Base interactions energy: -401.036
where: short stacking energy: -199.357
Base-Backbone interact. energy: 1.491
local terms energy: -262.156245
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -70.625
flat angles C4'-P-C4' energy: -68.791
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1625.099727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.099727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.099727 (E_RNA)
where:
Base-Base interactions energy: -1130.277
where: short stacking energy: -483.373
Base-Backbone interact. energy: -3.170
local terms energy: -491.652301
where:
bonds (distance) C4'-P energy: -92.639
bonds (distance) P-C4' energy: -88.253
flat angles C4'-P-C4' energy: -101.187
flat angles P-C4'-P energy: -76.241
tors. eta vs tors. theta energy: -133.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1594.347203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.347203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.347203 (E_RNA)
where:
Base-Base interactions energy: -1118.385
where: short stacking energy: -479.895
Base-Backbone interact. energy: -2.986
local terms energy: -472.975853
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -84.437
flat angles C4'-P-C4' energy: -103.058
flat angles P-C4'-P energy: -71.197
tors. eta vs tors. theta energy: -137.065
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1574.183702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.183702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.183702 (E_RNA)
where:
Base-Base interactions energy: -1064.598
where: short stacking energy: -492.515
Base-Backbone interact. energy: -0.694
local terms energy: -508.891931
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -103.743
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -152.951
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1469.155253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.155253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.155253 (E_RNA)
where:
Base-Base interactions energy: -1040.017
where: short stacking energy: -437.349
Base-Backbone interact. energy: 1.854
local terms energy: -430.991962
where:
bonds (distance) C4'-P energy: -85.143
bonds (distance) P-C4' energy: -78.380
flat angles C4'-P-C4' energy: -89.284
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -121.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1340.504737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.504737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.504737 (E_RNA)
where:
Base-Base interactions energy: -910.706
where: short stacking energy: -410.837
Base-Backbone interact. energy: -0.263
local terms energy: -429.535717
where:
bonds (distance) C4'-P energy: -81.975
bonds (distance) P-C4' energy: -75.862
flat angles C4'-P-C4' energy: -93.221
flat angles P-C4'-P energy: -60.308
tors. eta vs tors. theta energy: -118.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1297.033158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.033158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.033158 (E_RNA)
where:
Base-Base interactions energy: -903.304
where: short stacking energy: -399.731
Base-Backbone interact. energy: 0.505
local terms energy: -394.234755
where:
bonds (distance) C4'-P energy: -79.489
bonds (distance) P-C4' energy: -80.731
flat angles C4'-P-C4' energy: -83.626
flat angles P-C4'-P energy: -62.283
tors. eta vs tors. theta energy: -88.106
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1123.324655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.324655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.324655 (E_RNA)
where:
Base-Base interactions energy: -750.480
where: short stacking energy: -323.021
Base-Backbone interact. energy: -1.309
local terms energy: -371.536159
where:
bonds (distance) C4'-P energy: -85.408
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -73.617
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -971.326118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.326118 (E_RNA)
where:
Base-Base interactions energy: -605.834
where: short stacking energy: -283.895
Base-Backbone interact. energy: -1.565
local terms energy: -363.927150
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -77.051
flat angles C4'-P-C4' energy: -87.006
flat angles P-C4'-P energy: -43.348
tors. eta vs tors. theta energy: -73.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -816.083208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.083208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.083208 (E_RNA)
where:
Base-Base interactions energy: -521.280
where: short stacking energy: -254.759
Base-Backbone interact. energy: -0.354
local terms energy: -294.449792
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -72.324
flat angles C4'-P-C4' energy: -75.799
flat angles P-C4'-P energy: -39.684
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -688.154865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.154865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.154865 (E_RNA)
where:
Base-Base interactions energy: -415.192
where: short stacking energy: -206.790
Base-Backbone interact. energy: 1.797
local terms energy: -274.759449
where:
bonds (distance) C4'-P energy: -75.749
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -71.364
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -27.311
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: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1650.128402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.128402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.128402 (E_RNA)
where:
Base-Base interactions energy: -1145.787
where: short stacking energy: -502.433
Base-Backbone interact. energy: -4.672
local terms energy: -499.669406
where:
bonds (distance) C4'-P energy: -93.174
bonds (distance) P-C4' energy: -89.975
flat angles C4'-P-C4' energy: -108.402
flat angles P-C4'-P energy: -64.488
tors. eta vs tors. theta energy: -143.631
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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1594.711315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.711315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.711315 (E_RNA)
where:
Base-Base interactions energy: -1100.563
where: short stacking energy: -493.341
Base-Backbone interact. energy: -0.447
local terms energy: -493.701303
where:
bonds (distance) C4'-P energy: -92.271
bonds (distance) P-C4' energy: -89.401
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -139.856
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: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1582.389830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.389830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.389830 (E_RNA)
where:
Base-Base interactions energy: -1078.743
where: short stacking energy: -506.847
Base-Backbone interact. energy: -2.605
local terms energy: -501.042192
where:
bonds (distance) C4'-P energy: -83.287
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -100.107
flat angles P-C4'-P energy: -68.915
tors. eta vs tors. theta energy: -155.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1421.547983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.547983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.547983 (E_RNA)
where:
Base-Base interactions energy: -1003.791
where: short stacking energy: -409.068
Base-Backbone interact. energy: -1.218
local terms energy: -416.538716
where:
bonds (distance) C4'-P energy: -86.080
bonds (distance) P-C4' energy: -72.449
flat angles C4'-P-C4' energy: -79.476
flat angles P-C4'-P energy: -64.402
tors. eta vs tors. theta energy: -114.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1357.387707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.387707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.387707 (E_RNA)
where:
Base-Base interactions energy: -905.174
where: short stacking energy: -437.148
Base-Backbone interact. energy: -2.634
local terms energy: -449.579324
where:
bonds (distance) C4'-P energy: -90.775
bonds (distance) P-C4' energy: -89.539
flat angles C4'-P-C4' energy: -93.974
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -116.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1288.111661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.111661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.111661 (E_RNA)
where:
Base-Base interactions energy: -863.264
where: short stacking energy: -403.350
Base-Backbone interact. energy: 0.663
local terms energy: -425.510119
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -86.458
flat angles C4'-P-C4' energy: -101.098
flat angles P-C4'-P energy: -51.801
tors. eta vs tors. theta energy: -113.029
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1131.597617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.597617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.597617 (E_RNA)
where:
Base-Base interactions energy: -780.793
where: short stacking energy: -361.173
Base-Backbone interact. energy: 2.754
local terms energy: -353.558457
where:
bonds (distance) C4'-P energy: -65.499
bonds (distance) P-C4' energy: -79.983
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -77.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -977.310703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.310703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.310703 (E_RNA)
where:
Base-Base interactions energy: -649.517
where: short stacking energy: -328.243
Base-Backbone interact. energy: -0.856
local terms energy: -326.937106
where:
bonds (distance) C4'-P energy: -55.914
bonds (distance) P-C4' energy: -87.101
flat angles C4'-P-C4' energy: -77.817
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -68.941
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: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -844.449754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.449754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.449754 (E_RNA)
where:
Base-Base interactions energy: -529.399
where: short stacking energy: -230.370
Base-Backbone interact. energy: -4.117
local terms energy: -310.933474
where:
bonds (distance) C4'-P energy: -82.657
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -73.502
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -43.368
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -705.128183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.128183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.128183 (E_RNA)
where:
Base-Base interactions energy: -432.561
where: short stacking energy: -202.039
Base-Backbone interact. energy: -0.937
local terms energy: -271.629767
where:
bonds (distance) C4'-P energy: -72.969
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -69.413
flat angles P-C4'-P energy: -43.352
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: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1659.165922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.165922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.165922 (E_RNA)
where:
Base-Base interactions energy: -1146.208
where: short stacking energy: -473.919
Base-Backbone interact. energy: -2.249
local terms energy: -510.708860
where:
bonds (distance) C4'-P energy: -92.677
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -115.668
flat angles P-C4'-P energy: -78.610
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: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1593.059923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.059923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.059923 (E_RNA)
where:
Base-Base interactions energy: -1103.705
where: short stacking energy: -492.138
Base-Backbone interact. energy: -4.824
local terms energy: -484.531287
where:
bonds (distance) C4'-P energy: -83.635
bonds (distance) P-C4' energy: -95.527
flat angles C4'-P-C4' energy: -107.118
flat angles P-C4'-P energy: -73.643
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: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1567.094692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.094692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.094692 (E_RNA)
where:
Base-Base interactions energy: -1045.595
where: short stacking energy: -494.061
Base-Backbone interact. energy: -1.648
local terms energy: -519.851825
where:
bonds (distance) C4'-P energy: -90.194
bonds (distance) P-C4' energy: -92.882
flat angles C4'-P-C4' energy: -108.848
flat angles P-C4'-P energy: -72.964
tors. eta vs tors. theta energy: -154.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1456.119337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.119337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.119337 (E_RNA)
where:
Base-Base interactions energy: -1006.807
where: short stacking energy: -430.405
Base-Backbone interact. energy: -1.018
local terms energy: -448.294057
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -79.416
flat angles C4'-P-C4' energy: -101.327
flat angles P-C4'-P energy: -75.883
tors. eta vs tors. theta energy: -112.687
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1339.894885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.894885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.894885 (E_RNA)
where:
Base-Base interactions energy: -902.255
where: short stacking energy: -413.939
Base-Backbone interact. energy: -1.721
local terms energy: -435.919374
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -85.269
flat angles C4'-P-C4' energy: -99.237
flat angles P-C4'-P energy: -54.777
tors. eta vs tors. theta energy: -118.957
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1245.269129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.269129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.269129 (E_RNA)
where:
Base-Base interactions energy: -831.891
where: short stacking energy: -362.817
Base-Backbone interact. energy: -1.768
local terms energy: -411.609981
where:
bonds (distance) C4'-P energy: -86.178
bonds (distance) P-C4' energy: -75.115
flat angles C4'-P-C4' energy: -97.837
flat angles P-C4'-P energy: -62.020
tors. eta vs tors. theta energy: -90.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1088.524506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.524506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.524506 (E_RNA)
where:
Base-Base interactions energy: -719.297
where: short stacking energy: -330.014
Base-Backbone interact. energy: -2.427
local terms energy: -366.800814
where:
bonds (distance) C4'-P energy: -63.353
bonds (distance) P-C4' energy: -88.746
flat angles C4'-P-C4' energy: -76.124
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -94.968
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: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -950.356664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.356664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.356664 (E_RNA)
where:
Base-Base interactions energy: -611.365
where: short stacking energy: -274.638
Base-Backbone interact. energy: 4.930
local terms energy: -343.922389
where:
bonds (distance) C4'-P energy: -80.311
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -79.776
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -59.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -926.919619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.919619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.919619 (E_RNA)
where:
Base-Base interactions energy: -603.013
where: short stacking energy: -289.810
Base-Backbone interact. energy: -2.108
local terms energy: -321.798754
where:
bonds (distance) C4'-P energy: -69.462
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -69.111
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -63.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -612.900126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.900126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.900126 (E_RNA)
where:
Base-Base interactions energy: -341.696
where: short stacking energy: -174.557
Base-Backbone interact. energy: 0.384
local terms energy: -271.587587
where:
bonds (distance) C4'-P energy: -67.183
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1664.062713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.062713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.062713 (E_RNA)
where:
Base-Base interactions energy: -1158.277
where: short stacking energy: -508.445
Base-Backbone interact. energy: -2.399
local terms energy: -503.386053
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -96.275
flat angles C4'-P-C4' energy: -108.191
flat angles P-C4'-P energy: -72.004
tors. eta vs tors. theta energy: -140.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1620.226396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.226396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.226396 (E_RNA)
where:
Base-Base interactions energy: -1122.368
where: short stacking energy: -507.062
Base-Backbone interact. energy: 1.474
local terms energy: -499.332578
where:
bonds (distance) C4'-P energy: -80.267
bonds (distance) P-C4' energy: -83.489
flat angles C4'-P-C4' energy: -108.529
flat angles P-C4'-P energy: -84.910
tors. eta vs tors. theta energy: -142.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1542.332823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.332823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.332823 (E_RNA)
where:
Base-Base interactions energy: -1061.834
where: short stacking energy: -465.000
Base-Backbone interact. energy: -1.376
local terms energy: -479.122107
where:
bonds (distance) C4'-P energy: -72.580
bonds (distance) P-C4' energy: -93.309
flat angles C4'-P-C4' energy: -100.511
flat angles P-C4'-P energy: -67.558
tors. eta vs tors. theta energy: -145.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1461.415369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.415369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.415369 (E_RNA)
where:
Base-Base interactions energy: -1029.866
where: short stacking energy: -435.102
Base-Backbone interact. energy: -2.379
local terms energy: -429.170277
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -93.257
flat angles C4'-P-C4' energy: -93.030
flat angles P-C4'-P energy: -66.268
tors. eta vs tors. theta energy: -98.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1379.582462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.582462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.582462 (E_RNA)
where:
Base-Base interactions energy: -942.287
where: short stacking energy: -433.358
Base-Backbone interact. energy: 0.293
local terms energy: -437.588291
where:
bonds (distance) C4'-P energy: -72.110
bonds (distance) P-C4' energy: -83.859
flat angles C4'-P-C4' energy: -95.896
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -130.618
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: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1271.173354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.173354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.173354 (E_RNA)
where:
Base-Base interactions energy: -864.532
where: short stacking energy: -395.066
Base-Backbone interact. energy: -1.917
local terms energy: -404.723977
where:
bonds (distance) C4'-P energy: -86.554
bonds (distance) P-C4' energy: -89.184
flat angles C4'-P-C4' energy: -84.926
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -93.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1139.175963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.175963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.175963 (E_RNA)
where:
Base-Base interactions energy: -753.233
where: short stacking energy: -358.366
Base-Backbone interact. energy: 0.139
local terms energy: -386.082210
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -80.046
flat angles C4'-P-C4' energy: -91.117
flat angles P-C4'-P energy: -52.291
tors. eta vs tors. theta energy: -90.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -975.236384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.236384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.236384 (E_RNA)
where:
Base-Base interactions energy: -601.873
where: short stacking energy: -267.206
Base-Backbone interact. energy: -2.885
local terms energy: -370.478645
where:
bonds (distance) C4'-P energy: -73.395
bonds (distance) P-C4' energy: -84.664
flat angles C4'-P-C4' energy: -86.875
flat angles P-C4'-P energy: -58.421
tors. eta vs tors. theta energy: -67.123
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: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -888.900719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.900719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.900719 (E_RNA)
where:
Base-Base interactions energy: -560.430
where: short stacking energy: -264.728
Base-Backbone interact. energy: -5.279
local terms energy: -323.191388
where:
bonds (distance) C4'-P energy: -74.432
bonds (distance) P-C4' energy: -84.558
flat angles C4'-P-C4' energy: -68.451
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -41.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -659.477507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.477507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.477507 (E_RNA)
where:
Base-Base interactions energy: -371.085
where: short stacking energy: -188.255
Base-Backbone interact. energy: 0.505
local terms energy: -288.897424
where:
bonds (distance) C4'-P energy: -79.501
bonds (distance) P-C4' energy: -82.705
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -18.351
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1670.395087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.395087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.395087 (E_RNA)
where:
Base-Base interactions energy: -1165.264
where: short stacking energy: -520.026
Base-Backbone interact. energy: -1.880
local terms energy: -503.250977
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -89.688
flat angles C4'-P-C4' energy: -112.574
flat angles P-C4'-P energy: -71.863
tors. eta vs tors. theta energy: -142.931
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: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1605.351102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.351102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.351102 (E_RNA)
where:
Base-Base interactions energy: -1110.479
where: short stacking energy: -497.002
Base-Backbone interact. energy: -2.955
local terms energy: -491.917798
where:
bonds (distance) C4'-P energy: -89.864
bonds (distance) P-C4' energy: -90.329
flat angles C4'-P-C4' energy: -102.040
flat angles P-C4'-P energy: -73.377
tors. eta vs tors. theta energy: -136.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1564.401103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.401103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.401103 (E_RNA)
where:
Base-Base interactions energy: -1071.920
where: short stacking energy: -470.143
Base-Backbone interact. energy: -0.862
local terms energy: -491.619525
where:
bonds (distance) C4'-P energy: -80.072
bonds (distance) P-C4' energy: -94.720
flat angles C4'-P-C4' energy: -101.084
flat angles P-C4'-P energy: -64.161
tors. eta vs tors. theta energy: -151.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1519.393461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.393461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.393461 (E_RNA)
where:
Base-Base interactions energy: -1068.007
where: short stacking energy: -434.514
Base-Backbone interact. energy: -1.566
local terms energy: -449.820853
where:
bonds (distance) C4'-P energy: -75.541
bonds (distance) P-C4' energy: -93.327
flat angles C4'-P-C4' energy: -102.906
flat angles P-C4'-P energy: -62.464
tors. eta vs tors. theta energy: -115.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1400.638839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.638839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.638839 (E_RNA)
where:
Base-Base interactions energy: -954.892
where: short stacking energy: -447.018
Base-Backbone interact. energy: -1.640
local terms energy: -444.106384
where:
bonds (distance) C4'-P energy: -78.571
bonds (distance) P-C4' energy: -81.628
flat angles C4'-P-C4' energy: -91.816
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -128.028
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1266.151586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.151586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.151586 (E_RNA)
where:
Base-Base interactions energy: -868.373
where: short stacking energy: -382.120
Base-Backbone interact. energy: -1.026
local terms energy: -396.752724
where:
bonds (distance) C4'-P energy: -70.168
bonds (distance) P-C4' energy: -82.985
flat angles C4'-P-C4' energy: -96.895
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -94.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1134.334811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.334811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.334811 (E_RNA)
where:
Base-Base interactions energy: -749.966
where: short stacking energy: -352.019
Base-Backbone interact. energy: -0.825
local terms energy: -383.543665
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -77.624
flat angles C4'-P-C4' energy: -85.425
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -90.136
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -997.830878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.830878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.830878 (E_RNA)
where:
Base-Base interactions energy: -658.278
where: short stacking energy: -317.839
Base-Backbone interact. energy: -1.870
local terms energy: -337.683227
where:
bonds (distance) C4'-P energy: -66.121
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -51.949
tors. eta vs tors. theta energy: -61.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -968.187217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.187217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.187217 (E_RNA)
where:
Base-Base interactions energy: -636.664
where: short stacking energy: -296.920
Base-Backbone interact. energy: 1.529
local terms energy: -333.052940
where:
bonds (distance) C4'-P energy: -65.306
bonds (distance) P-C4' energy: -79.744
flat angles C4'-P-C4' energy: -71.641
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -67.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -730.398484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.398484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.398484 (E_RNA)
where:
Base-Base interactions energy: -444.866
where: short stacking energy: -225.621
Base-Backbone interact. energy: -1.842
local terms energy: -283.689665
where:
bonds (distance) C4'-P energy: -70.980
bonds (distance) P-C4' energy: -73.398
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -45.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1668.799264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.799264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.799264 (E_RNA)
where:
Base-Base interactions energy: -1170.027
where: short stacking energy: -520.295
Base-Backbone interact. energy: -0.020
local terms energy: -498.752363
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -89.887
flat angles C4'-P-C4' energy: -100.892
flat angles P-C4'-P energy: -78.890
tors. eta vs tors. theta energy: -144.127
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: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1647.570195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.570195 (E_RNA)
where:
Base-Base interactions energy: -1144.910
where: short stacking energy: -494.977
Base-Backbone interact. energy: -3.215
local terms energy: -499.445017
where:
bonds (distance) C4'-P energy: -94.635
bonds (distance) P-C4' energy: -85.929
flat angles C4'-P-C4' energy: -105.178
flat angles P-C4'-P energy: -75.574
tors. eta vs tors. theta energy: -138.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1558.721888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.721888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.721888 (E_RNA)
where:
Base-Base interactions energy: -1066.094
where: short stacking energy: -485.535
Base-Backbone interact. energy: -0.328
local terms energy: -492.300716
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -89.008
flat angles C4'-P-C4' energy: -107.861
flat angles P-C4'-P energy: -58.756
tors. eta vs tors. theta energy: -147.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1512.138627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.138627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.138627 (E_RNA)
where:
Base-Base interactions energy: -1073.234
where: short stacking energy: -451.507
Base-Backbone interact. energy: -2.044
local terms energy: -436.860856
where:
bonds (distance) C4'-P energy: -80.266
bonds (distance) P-C4' energy: -79.708
flat angles C4'-P-C4' energy: -95.722
flat angles P-C4'-P energy: -65.783
tors. eta vs tors. theta energy: -115.382
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: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1390.795022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.795022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.795022 (E_RNA)
where:
Base-Base interactions energy: -942.001
where: short stacking energy: -431.518
Base-Backbone interact. energy: -0.846
local terms energy: -447.947946
where:
bonds (distance) C4'-P energy: -75.798
bonds (distance) P-C4' energy: -87.769
flat angles C4'-P-C4' energy: -89.174
flat angles P-C4'-P energy: -74.587
tors. eta vs tors. theta energy: -120.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1276.036868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.036868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.036868 (E_RNA)
where:
Base-Base interactions energy: -874.065
where: short stacking energy: -367.540
Base-Backbone interact. energy: -0.689
local terms energy: -401.283664
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -83.221
flat angles C4'-P-C4' energy: -92.976
flat angles P-C4'-P energy: -59.666
tors. eta vs tors. theta energy: -85.094
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: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1143.915246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.915246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.915246 (E_RNA)
where:
Base-Base interactions energy: -755.040
where: short stacking energy: -354.297
Base-Backbone interact. energy: -0.704
local terms energy: -388.171064
where:
bonds (distance) C4'-P energy: -62.675
bonds (distance) P-C4' energy: -93.152
flat angles C4'-P-C4' energy: -89.168
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -95.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -979.496094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.496094 (E_RNA)
where:
Base-Base interactions energy: -648.981
where: short stacking energy: -273.856
Base-Backbone interact. energy: -2.340
local terms energy: -328.175692
where:
bonds (distance) C4'-P energy: -66.997
bonds (distance) P-C4' energy: -70.906
flat angles C4'-P-C4' energy: -90.587
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -52.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -848.130526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.130526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.130526 (E_RNA)
where:
Base-Base interactions energy: -543.598
where: short stacking energy: -267.114
Base-Backbone interact. energy: -1.470
local terms energy: -303.062655
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -78.989
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -46.223
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: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -687.818183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.818183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.818183 (E_RNA)
where:
Base-Base interactions energy: -386.142
where: short stacking energy: -186.864
Base-Backbone interact. energy: -0.202
local terms energy: -301.474523
where:
bonds (distance) C4'-P energy: -69.340
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -57.518
tors. eta vs tors. theta energy: -22.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1681.748710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.748710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.748710 (E_RNA)
where:
Base-Base interactions energy: -1167.835
where: short stacking energy: -505.939
Base-Backbone interact. energy: -0.409
local terms energy: -513.504257
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -88.028
flat angles C4'-P-C4' energy: -108.621
flat angles P-C4'-P energy: -83.827
tors. eta vs tors. theta energy: -139.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1581.775617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.775617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.775617 (E_RNA)
where:
Base-Base interactions energy: -1071.917
where: short stacking energy: -486.527
Base-Backbone interact. energy: -1.131
local terms energy: -508.728239
where:
bonds (distance) C4'-P energy: -92.777
bonds (distance) P-C4' energy: -92.680
flat angles C4'-P-C4' energy: -99.365
flat angles P-C4'-P energy: -78.811
tors. eta vs tors. theta energy: -145.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1571.727554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.727554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.727554 (E_RNA)
where:
Base-Base interactions energy: -1095.428
where: short stacking energy: -497.303
Base-Backbone interact. energy: 2.955
local terms energy: -479.255068
where:
bonds (distance) C4'-P energy: -82.371
bonds (distance) P-C4' energy: -89.812
flat angles C4'-P-C4' energy: -99.293
flat angles P-C4'-P energy: -69.219
tors. eta vs tors. theta energy: -138.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1487.773588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.773588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.773588 (E_RNA)
where:
Base-Base interactions energy: -1035.575
where: short stacking energy: -408.507
Base-Backbone interact. energy: -1.952
local terms energy: -450.246315
where:
bonds (distance) C4'-P energy: -78.563
bonds (distance) P-C4' energy: -92.050
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -72.996
tors. eta vs tors. theta energy: -112.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1360.886245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.886245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.886245 (E_RNA)
where:
Base-Base interactions energy: -926.793
where: short stacking energy: -424.584
Base-Backbone interact. energy: -0.980
local terms energy: -433.112924
where:
bonds (distance) C4'-P energy: -70.336
bonds (distance) P-C4' energy: -88.103
flat angles C4'-P-C4' energy: -93.311
flat angles P-C4'-P energy: -57.984
tors. eta vs tors. theta energy: -123.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1244.023531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.023531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.023531 (E_RNA)
where:
Base-Base interactions energy: -854.032
where: short stacking energy: -363.186
Base-Backbone interact. energy: -4.078
local terms energy: -385.914057
where:
bonds (distance) C4'-P energy: -74.636
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -82.221
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -88.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1158.046861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.046861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.046861 (E_RNA)
where:
Base-Base interactions energy: -764.768
where: short stacking energy: -363.995
Base-Backbone interact. energy: -0.901
local terms energy: -392.377489
where:
bonds (distance) C4'-P energy: -73.226
bonds (distance) P-C4' energy: -85.419
flat angles C4'-P-C4' energy: -94.172
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -89.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -949.372946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.372946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.372946 (E_RNA)
where:
Base-Base interactions energy: -606.082
where: short stacking energy: -269.414
Base-Backbone interact. energy: -1.892
local terms energy: -341.399213
where:
bonds (distance) C4'-P energy: -65.280
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -86.549
flat angles P-C4'-P energy: -54.319
tors. eta vs tors. theta energy: -55.737
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: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -789.008456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.008456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.008456 (E_RNA)
where:
Base-Base interactions energy: -516.042
where: short stacking energy: -221.520
Base-Backbone interact. energy: -1.067
local terms energy: -271.898790
where:
bonds (distance) C4'-P energy: -74.263
bonds (distance) P-C4' energy: -74.281
flat angles C4'-P-C4' energy: -71.451
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -618.966829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.966829 (E_RNA)
where:
Base-Base interactions energy: -332.595
where: short stacking energy: -169.275
Base-Backbone interact. energy: 0.301
local terms energy: -286.672705
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -79.203
flat angles C4'-P-C4' energy: -78.515
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1666.340503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.340503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.340503 (E_RNA)
where:
Base-Base interactions energy: -1151.959
where: short stacking energy: -503.344
Base-Backbone interact. energy: -0.093
local terms energy: -514.287763
where:
bonds (distance) C4'-P energy: -95.495
bonds (distance) P-C4' energy: -91.091
flat angles C4'-P-C4' energy: -108.203
flat angles P-C4'-P energy: -75.165
tors. eta vs tors. theta energy: -144.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1577.539806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.539806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.539806 (E_RNA)
where:
Base-Base interactions energy: -1073.581
where: short stacking energy: -496.061
Base-Backbone interact. energy: -1.564
local terms energy: -502.395114
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -89.596
flat angles C4'-P-C4' energy: -107.862
flat angles P-C4'-P energy: -65.329
tors. eta vs tors. theta energy: -148.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1573.339905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.339905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.339905 (E_RNA)
where:
Base-Base interactions energy: -1098.964
where: short stacking energy: -488.697
Base-Backbone interact. energy: -2.890
local terms energy: -471.486421
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -83.679
flat angles C4'-P-C4' energy: -103.151
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -131.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1463.202103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.202103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.202103 (E_RNA)
where:
Base-Base interactions energy: -1024.646
where: short stacking energy: -430.432
Base-Backbone interact. energy: -4.321
local terms energy: -434.235252
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -80.437
flat angles C4'-P-C4' energy: -96.312
flat angles P-C4'-P energy: -60.663
tors. eta vs tors. theta energy: -112.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1378.056735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.056735 (E_RNA)
where:
Base-Base interactions energy: -941.056
where: short stacking energy: -450.326
Base-Backbone interact. energy: -3.199
local terms energy: -433.801585
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -79.981
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -65.593
tors. eta vs tors. theta energy: -116.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1205.506034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.506034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.506034 (E_RNA)
where:
Base-Base interactions energy: -802.889
where: short stacking energy: -359.657
Base-Backbone interact. energy: -1.170
local terms energy: -401.446434
where:
bonds (distance) C4'-P energy: -80.089
bonds (distance) P-C4' energy: -79.959
flat angles C4'-P-C4' energy: -85.991
flat angles P-C4'-P energy: -69.422
tors. eta vs tors. theta energy: -85.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1138.712287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.712287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.712287 (E_RNA)
where:
Base-Base interactions energy: -764.289
where: short stacking energy: -340.697
Base-Backbone interact. energy: -2.000
local terms energy: -372.422942
where:
bonds (distance) C4'-P energy: -85.904
bonds (distance) P-C4' energy: -78.707
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -85.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -952.770695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.770695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.770695 (E_RNA)
where:
Base-Base interactions energy: -616.262
where: short stacking energy: -290.474
Base-Backbone interact. energy: 3.680
local terms energy: -340.188875
where:
bonds (distance) C4'-P energy: -91.956
bonds (distance) P-C4' energy: -81.836
flat angles C4'-P-C4' energy: -77.294
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -810.627503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.627503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.627503 (E_RNA)
where:
Base-Base interactions energy: -504.191
where: short stacking energy: -232.179
Base-Backbone interact. energy: -2.215
local terms energy: -304.221645
where:
bonds (distance) C4'-P energy: -75.909
bonds (distance) P-C4' energy: -84.509
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -41.445
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: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -656.225059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.225059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.225059 (E_RNA)
where:
Base-Base interactions energy: -392.288
where: short stacking energy: -189.890
Base-Backbone interact. energy: 2.968
local terms energy: -266.905074
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -74.247
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1664.973091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.973091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.973091 (E_RNA)
where:
Base-Base interactions energy: -1167.231
where: short stacking energy: -514.839
Base-Backbone interact. energy: -3.018
local terms energy: -494.723795
where:
bonds (distance) C4'-P energy: -80.938
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -68.594
tors. eta vs tors. theta energy: -146.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1594.044394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.044394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.044394 (E_RNA)
where:
Base-Base interactions energy: -1117.347
where: short stacking energy: -489.438
Base-Backbone interact. energy: -0.940
local terms energy: -475.757494
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -85.174
flat angles C4'-P-C4' energy: -103.989
flat angles P-C4'-P energy: -63.959
tors. eta vs tors. theta energy: -133.451
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1530.272404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.272404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.272404 (E_RNA)
where:
Base-Base interactions energy: -1047.340
where: short stacking energy: -474.182
Base-Backbone interact. energy: -1.476
local terms energy: -481.456738
where:
bonds (distance) C4'-P energy: -86.773
bonds (distance) P-C4' energy: -87.841
flat angles C4'-P-C4' energy: -98.411
flat angles P-C4'-P energy: -66.230
tors. eta vs tors. theta energy: -142.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1470.763450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.763450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.763450 (E_RNA)
where:
Base-Base interactions energy: -1020.292
where: short stacking energy: -432.967
Base-Backbone interact. energy: -2.878
local terms energy: -447.593627
where:
bonds (distance) C4'-P energy: -85.633
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -94.698
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -110.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1400.216838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.216838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.216838 (E_RNA)
where:
Base-Base interactions energy: -936.253
where: short stacking energy: -416.028
Base-Backbone interact. energy: -1.592
local terms energy: -462.372390
where:
bonds (distance) C4'-P energy: -85.145
bonds (distance) P-C4' energy: -88.597
flat angles C4'-P-C4' energy: -99.362
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -126.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1223.810722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.810722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.810722 (E_RNA)
where:
Base-Base interactions energy: -814.656
where: short stacking energy: -390.896
Base-Backbone interact. energy: 0.867
local terms energy: -410.021902
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -68.330
flat angles C4'-P-C4' energy: -90.476
flat angles P-C4'-P energy: -51.757
tors. eta vs tors. theta energy: -118.485
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: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1178.961257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.961257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.961257 (E_RNA)
where:
Base-Base interactions energy: -803.231
where: short stacking energy: -357.157
Base-Backbone interact. energy: -0.481
local terms energy: -375.248939
where:
bonds (distance) C4'-P energy: -75.043
bonds (distance) P-C4' energy: -78.535
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -89.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -932.360606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.360606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.360606 (E_RNA)
where:
Base-Base interactions energy: -591.890
where: short stacking energy: -274.273
Base-Backbone interact. energy: 1.718
local terms energy: -342.188293
where:
bonds (distance) C4'-P energy: -78.790
bonds (distance) P-C4' energy: -69.951
flat angles C4'-P-C4' energy: -74.740
flat angles P-C4'-P energy: -50.809
tors. eta vs tors. theta energy: -67.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -799.037113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.037113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.037113 (E_RNA)
where:
Base-Base interactions energy: -507.340
where: short stacking energy: -232.523
Base-Backbone interact. energy: 4.006
local terms energy: -295.702900
where:
bonds (distance) C4'-P energy: -65.216
bonds (distance) P-C4' energy: -77.271
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -36.309
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: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -643.172786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.172786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.172786 (E_RNA)
where:
Base-Base interactions energy: -367.960
where: short stacking energy: -171.744
Base-Backbone interact. energy: -1.723
local terms energy: -273.490212
where:
bonds (distance) C4'-P energy: -66.697
bonds (distance) P-C4' energy: -85.825
flat angles C4'-P-C4' energy: -67.699
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -9.928
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: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1667.812868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.812868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.812868 (E_RNA)
where:
Base-Base interactions energy: -1165.400
where: short stacking energy: -508.222
Base-Backbone interact. energy: -3.783
local terms energy: -498.630190
where:
bonds (distance) C4'-P energy: -83.139
bonds (distance) P-C4' energy: -94.174
flat angles C4'-P-C4' energy: -104.672
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -143.566
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: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1628.489027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.489027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.489027 (E_RNA)
where:
Base-Base interactions energy: -1131.936
where: short stacking energy: -498.242
Base-Backbone interact. energy: -1.843
local terms energy: -494.709337
where:
bonds (distance) C4'-P energy: -90.833
bonds (distance) P-C4' energy: -89.454
flat angles C4'-P-C4' energy: -111.185
flat angles P-C4'-P energy: -62.466
tors. eta vs tors. theta energy: -140.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1536.985775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.985775 (E_RNA)
where:
Base-Base interactions energy: -1035.643
where: short stacking energy: -465.569
Base-Backbone interact. energy: -0.286
local terms energy: -501.057241
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -78.195
tors. eta vs tors. theta energy: -143.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1437.456170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.456170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.456170 (E_RNA)
where:
Base-Base interactions energy: -999.343
where: short stacking energy: -417.984
Base-Backbone interact. energy: -1.858
local terms energy: -436.255364
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -84.698
flat angles C4'-P-C4' energy: -88.853
flat angles P-C4'-P energy: -64.296
tors. eta vs tors. theta energy: -109.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1369.854779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.854779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.854779 (E_RNA)
where:
Base-Base interactions energy: -926.049
where: short stacking energy: -408.607
Base-Backbone interact. energy: -0.795
local terms energy: -443.011120
where:
bonds (distance) C4'-P energy: -77.042
bonds (distance) P-C4' energy: -74.368
flat angles C4'-P-C4' energy: -109.256
flat angles P-C4'-P energy: -74.290
tors. eta vs tors. theta energy: -108.056
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: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1242.620912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.620912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.620912 (E_RNA)
where:
Base-Base interactions energy: -828.596
where: short stacking energy: -387.449
Base-Backbone interact. energy: -0.988
local terms energy: -413.036808
where:
bonds (distance) C4'-P energy: -77.653
bonds (distance) P-C4' energy: -79.912
flat angles C4'-P-C4' energy: -78.904
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -106.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1140.048920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.048920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.048920 (E_RNA)
where:
Base-Base interactions energy: -751.217
where: short stacking energy: -338.063
Base-Backbone interact. energy: -0.380
local terms energy: -388.451831
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -82.215
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -82.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -968.988978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.988978 (E_RNA)
where:
Base-Base interactions energy: -598.210
where: short stacking energy: -275.499
Base-Backbone interact. energy: -3.420
local terms energy: -367.359749
where:
bonds (distance) C4'-P energy: -76.748
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -82.455
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -67.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -835.388683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.388683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.388683 (E_RNA)
where:
Base-Base interactions energy: -506.754
where: short stacking energy: -238.239
Base-Backbone interact. energy: -1.368
local terms energy: -327.266879
where:
bonds (distance) C4'-P energy: -68.555
bonds (distance) P-C4' energy: -86.419
flat angles C4'-P-C4' energy: -77.465
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: -52.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -691.784334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.784334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.784334 (E_RNA)
where:
Base-Base interactions energy: -409.193
where: short stacking energy: -192.384
Base-Backbone interact. energy: 8.759
local terms energy: -291.350213
where:
bonds (distance) C4'-P energy: -86.483
bonds (distance) P-C4' energy: -73.216
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1667.797033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.797033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.797033 (E_RNA)
where:
Base-Base interactions energy: -1150.376
where: short stacking energy: -493.290
Base-Backbone interact. energy: -2.003
local terms energy: -515.418696
where:
bonds (distance) C4'-P energy: -92.144
bonds (distance) P-C4' energy: -100.563
flat angles C4'-P-C4' energy: -104.006
flat angles P-C4'-P energy: -78.293
tors. eta vs tors. theta energy: -140.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1632.849646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.849646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.849646 (E_RNA)
where:
Base-Base interactions energy: -1122.567
where: short stacking energy: -495.947
Base-Backbone interact. energy: -3.513
local terms energy: -506.769769
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -97.751
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -137.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1510.951542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.951542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.951542 (E_RNA)
where:
Base-Base interactions energy: -1036.903
where: short stacking energy: -461.666
Base-Backbone interact. energy: -3.164
local terms energy: -470.884414
where:
bonds (distance) C4'-P energy: -85.101
bonds (distance) P-C4' energy: -83.427
flat angles C4'-P-C4' energy: -99.398
flat angles P-C4'-P energy: -64.950
tors. eta vs tors. theta energy: -138.008
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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1438.431159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.431159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.431159 (E_RNA)
where:
Base-Base interactions energy: -1028.537
where: short stacking energy: -411.024
Base-Backbone interact. energy: -1.224
local terms energy: -408.670670
where:
bonds (distance) C4'-P energy: -79.825
bonds (distance) P-C4' energy: -72.983
flat angles C4'-P-C4' energy: -91.653
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -102.908
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: 295
Temperature: 1.100000
Total energy: -1333.266520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.266520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.266520 (E_RNA)
where:
Base-Base interactions energy: -922.214
where: short stacking energy: -388.786
Base-Backbone interact. energy: -2.876
local terms energy: -408.176141
where:
bonds (distance) C4'-P energy: -68.029
bonds (distance) P-C4' energy: -75.137
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -72.084
tors. eta vs tors. theta energy: -107.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1254.923656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.923656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.923656 (E_RNA)
where:
Base-Base interactions energy: -863.423
where: short stacking energy: -388.085
Base-Backbone interact. energy: -2.910
local terms energy: -388.591345
where:
bonds (distance) C4'-P energy: -70.239
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -86.740
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -101.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1101.255851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.255851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.255851 (E_RNA)
where:
Base-Base interactions energy: -729.368
where: short stacking energy: -345.025
Base-Backbone interact. energy: -3.342
local terms energy: -368.545816
where:
bonds (distance) C4'-P energy: -75.636
bonds (distance) P-C4' energy: -80.736
flat angles C4'-P-C4' energy: -77.316
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -88.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1026.757296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.757296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.757296 (E_RNA)
where:
Base-Base interactions energy: -663.296
where: short stacking energy: -289.014
Base-Backbone interact. energy: -1.622
local terms energy: -361.839045
where:
bonds (distance) C4'-P energy: -80.277
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -72.338
flat angles P-C4'-P energy: -65.715
tors. eta vs tors. theta energy: -53.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -824.461902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.461902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.461902 (E_RNA)
where:
Base-Base interactions energy: -523.091
where: short stacking energy: -254.648
Base-Backbone interact. energy: -1.236
local terms energy: -300.135482
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -77.098
flat angles C4'-P-C4' energy: -78.271
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -44.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -600.177361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.177361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.177361 (E_RNA)
where:
Base-Base interactions energy: -346.170
where: short stacking energy: -173.178
Base-Backbone interact. energy: -2.357
local terms energy: -251.649858
where:
bonds (distance) C4'-P energy: -69.750
bonds (distance) P-C4' energy: -76.111
flat angles C4'-P-C4' energy: -49.180
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -19.108
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1657.698723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.698723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.698723 (E_RNA)
where:
Base-Base interactions energy: -1156.871
where: short stacking energy: -504.123
Base-Backbone interact. energy: -4.701
local terms energy: -496.127412
where:
bonds (distance) C4'-P energy: -88.062
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -107.648
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -138.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1598.715049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.715049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.715049 (E_RNA)
where:
Base-Base interactions energy: -1105.599
where: short stacking energy: -485.327
Base-Backbone interact. energy: -3.516
local terms energy: -489.599978
where:
bonds (distance) C4'-P energy: -86.313
bonds (distance) P-C4' energy: -87.718
flat angles C4'-P-C4' energy: -111.967
flat angles P-C4'-P energy: -71.832
tors. eta vs tors. theta energy: -131.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1523.300539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.300539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.300539 (E_RNA)
where:
Base-Base interactions energy: -1040.728
where: short stacking energy: -479.809
Base-Backbone interact. energy: -1.857
local terms energy: -480.715560
where:
bonds (distance) C4'-P energy: -91.418
bonds (distance) P-C4' energy: -92.267
flat angles C4'-P-C4' energy: -89.253
flat angles P-C4'-P energy: -64.477
tors. eta vs tors. theta energy: -143.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1457.070758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.070758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.070758 (E_RNA)
where:
Base-Base interactions energy: -1029.412
where: short stacking energy: -428.291
Base-Backbone interact. energy: -2.210
local terms energy: -425.449015
where:
bonds (distance) C4'-P energy: -88.593
bonds (distance) P-C4' energy: -76.297
flat angles C4'-P-C4' energy: -89.323
flat angles P-C4'-P energy: -59.816
tors. eta vs tors. theta energy: -111.419
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: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1361.194977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.194977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.194977 (E_RNA)
where:
Base-Base interactions energy: -947.173
where: short stacking energy: -398.677
Base-Backbone interact. energy: -2.785
local terms energy: -411.236882
where:
bonds (distance) C4'-P energy: -77.110
bonds (distance) P-C4' energy: -81.110
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -114.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1284.681993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.681993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.681993 (E_RNA)
where:
Base-Base interactions energy: -866.608
where: short stacking energy: -394.881
Base-Backbone interact. energy: -2.649
local terms energy: -415.424564
where:
bonds (distance) C4'-P energy: -65.025
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -84.343
flat angles P-C4'-P energy: -59.911
tors. eta vs tors. theta energy: -117.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1129.365672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.365672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.365672 (E_RNA)
where:
Base-Base interactions energy: -736.279
where: short stacking energy: -341.735
Base-Backbone interact. energy: -2.288
local terms energy: -390.799153
where:
bonds (distance) C4'-P energy: -99.536
bonds (distance) P-C4' energy: -81.313
flat angles C4'-P-C4' energy: -73.114
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -83.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -980.952066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.952066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.952066 (E_RNA)
where:
Base-Base interactions energy: -630.207
where: short stacking energy: -268.209
Base-Backbone interact. energy: 4.563
local terms energy: -355.307424
where:
bonds (distance) C4'-P energy: -84.911
bonds (distance) P-C4' energy: -85.429
flat angles C4'-P-C4' energy: -82.423
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -57.056
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: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -778.715834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.715834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.715834 (E_RNA)
where:
Base-Base interactions energy: -508.712
where: short stacking energy: -234.573
Base-Backbone interact. energy: 1.725
local terms energy: -271.728973
where:
bonds (distance) C4'-P energy: -67.632
bonds (distance) P-C4' energy: -69.839
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -29.661
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: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -636.023591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.023591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.023591 (E_RNA)
where:
Base-Base interactions energy: -337.547
where: short stacking energy: -173.729
Base-Backbone interact. energy: 1.102
local terms energy: -299.578847
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -91.809
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -53.686
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1663.393194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.393194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.393194 (E_RNA)
where:
Base-Base interactions energy: -1162.968
where: short stacking energy: -508.592
Base-Backbone interact. energy: -0.434
local terms energy: -499.991382
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -92.097
flat angles C4'-P-C4' energy: -98.982
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -137.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1623.007950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.007950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.007950 (E_RNA)
where:
Base-Base interactions energy: -1140.832
where: short stacking energy: -494.965
Base-Backbone interact. energy: -2.400
local terms energy: -479.775728
where:
bonds (distance) C4'-P energy: -85.343
bonds (distance) P-C4' energy: -87.911
flat angles C4'-P-C4' energy: -101.775
flat angles P-C4'-P energy: -63.424
tors. eta vs tors. theta energy: -141.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1516.151201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.151201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.151201 (E_RNA)
where:
Base-Base interactions energy: -1046.995
where: short stacking energy: -464.193
Base-Backbone interact. energy: -1.497
local terms energy: -467.659600
where:
bonds (distance) C4'-P energy: -94.057
bonds (distance) P-C4' energy: -78.801
flat angles C4'-P-C4' energy: -97.193
flat angles P-C4'-P energy: -64.327
tors. eta vs tors. theta energy: -133.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1467.920730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.920730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.920730 (E_RNA)
where:
Base-Base interactions energy: -1003.791
where: short stacking energy: -451.252
Base-Backbone interact. energy: -0.186
local terms energy: -463.944293
where:
bonds (distance) C4'-P energy: -79.923
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -97.020
flat angles P-C4'-P energy: -70.731
tors. eta vs tors. theta energy: -124.297
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: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1392.150857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.150857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.150857 (E_RNA)
where:
Base-Base interactions energy: -957.685
where: short stacking energy: -425.595
Base-Backbone interact. energy: -2.184
local terms energy: -432.282056
where:
bonds (distance) C4'-P energy: -80.228
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -87.686
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -121.305
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: 297
Temperature: 1.150000
Total energy: -1284.771045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.771045 (E_RNA)
where:
Base-Base interactions energy: -868.058
where: short stacking energy: -395.038
Base-Backbone interact. energy: 0.041
local terms energy: -416.754244
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -79.013
flat angles C4'-P-C4' energy: -92.743
flat angles P-C4'-P energy: -49.426
tors. eta vs tors. theta energy: -109.728
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1138.245388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.245388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.245388 (E_RNA)
where:
Base-Base interactions energy: -755.559
where: short stacking energy: -335.922
Base-Backbone interact. energy: -2.921
local terms energy: -379.765256
where:
bonds (distance) C4'-P energy: -66.897
bonds (distance) P-C4' energy: -81.214
flat angles C4'-P-C4' energy: -90.725
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -85.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -980.693027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.693027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.693027 (E_RNA)
where:
Base-Base interactions energy: -636.447
where: short stacking energy: -301.104
Base-Backbone interact. energy: -0.949
local terms energy: -343.296884
where:
bonds (distance) C4'-P energy: -72.180
bonds (distance) P-C4' energy: -80.404
flat angles C4'-P-C4' energy: -82.671
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -62.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -778.003498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.003498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.003498 (E_RNA)
where:
Base-Base interactions energy: -468.187
where: short stacking energy: -237.402
Base-Backbone interact. energy: 1.318
local terms energy: -311.134629
where:
bonds (distance) C4'-P energy: -60.163
bonds (distance) P-C4' energy: -81.946
flat angles C4'-P-C4' energy: -78.722
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -48.151
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -688.842514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.842514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.842514 (E_RNA)
where:
Base-Base interactions energy: -404.656
where: short stacking energy: -212.543
Base-Backbone interact. energy: -1.535
local terms energy: -282.652118
where:
bonds (distance) C4'-P energy: -66.403
bonds (distance) P-C4' energy: -84.671
flat angles C4'-P-C4' energy: -66.578
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1663.781004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.781004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.781004 (E_RNA)
where:
Base-Base interactions energy: -1158.626
where: short stacking energy: -503.946
Base-Backbone interact. energy: -3.844
local terms energy: -501.311307
where:
bonds (distance) C4'-P energy: -98.001
bonds (distance) P-C4' energy: -82.275
flat angles C4'-P-C4' energy: -105.345
flat angles P-C4'-P energy: -76.338
tors. eta vs tors. theta energy: -139.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1634.036141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.036141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.036141 (E_RNA)
where:
Base-Base interactions energy: -1139.213
where: short stacking energy: -497.373
Base-Backbone interact. energy: -3.219
local terms energy: -491.603252
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -84.698
flat angles C4'-P-C4' energy: -108.465
flat angles P-C4'-P energy: -73.303
tors. eta vs tors. theta energy: -135.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1548.487037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.487037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.487037 (E_RNA)
where:
Base-Base interactions energy: -1054.176
where: short stacking energy: -462.007
Base-Backbone interact. energy: -1.068
local terms energy: -493.243111
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -97.472
flat angles C4'-P-C4' energy: -93.385
flat angles P-C4'-P energy: -65.546
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: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1476.989400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.989400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.989400 (E_RNA)
where:
Base-Base interactions energy: -1016.670
where: short stacking energy: -429.960
Base-Backbone interact. energy: -4.330
local terms energy: -455.989051
where:
bonds (distance) C4'-P energy: -80.722
bonds (distance) P-C4' energy: -89.826
flat angles C4'-P-C4' energy: -97.055
flat angles P-C4'-P energy: -62.275
tors. eta vs tors. theta energy: -126.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1381.700511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.700511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.700511 (E_RNA)
where:
Base-Base interactions energy: -960.397
where: short stacking energy: -421.450
Base-Backbone interact. energy: -2.540
local terms energy: -418.763277
where:
bonds (distance) C4'-P energy: -79.543
bonds (distance) P-C4' energy: -77.980
flat angles C4'-P-C4' energy: -91.733
flat angles P-C4'-P energy: -51.128
tors. eta vs tors. theta energy: -118.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1261.074202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.074202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.074202 (E_RNA)
where:
Base-Base interactions energy: -846.894
where: short stacking energy: -375.091
Base-Backbone interact. energy: 0.039
local terms energy: -414.218925
where:
bonds (distance) C4'-P energy: -83.312
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -55.958
tors. eta vs tors. theta energy: -115.487
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: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1109.796320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.796320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.796320 (E_RNA)
where:
Base-Base interactions energy: -738.934
where: short stacking energy: -347.379
Base-Backbone interact. energy: -0.488
local terms energy: -370.374737
where:
bonds (distance) C4'-P energy: -82.787
bonds (distance) P-C4' energy: -77.144
flat angles C4'-P-C4' energy: -76.618
flat angles P-C4'-P energy: -58.782
tors. eta vs tors. theta energy: -75.044
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: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -969.027697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.027697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.027697 (E_RNA)
where:
Base-Base interactions energy: -625.325
where: short stacking energy: -279.142
Base-Backbone interact. energy: -1.909
local terms energy: -341.794042
where:
bonds (distance) C4'-P energy: -69.702
bonds (distance) P-C4' energy: -93.721
flat angles C4'-P-C4' energy: -82.232
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -812.353675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.353675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.353675 (E_RNA)
where:
Base-Base interactions energy: -484.534
where: short stacking energy: -214.200
Base-Backbone interact. energy: 2.282
local terms energy: -330.101601
where:
bonds (distance) C4'-P energy: -80.148
bonds (distance) P-C4' energy: -69.628
flat angles C4'-P-C4' energy: -87.217
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -40.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -631.009467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.009467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.009467 (E_RNA)
where:
Base-Base interactions energy: -368.171
where: short stacking energy: -204.472
Base-Backbone interact. energy: 0.893
local terms energy: -263.731997
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -72.729
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -16.702
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1675.505740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.505740 (E_RNA)
where:
Base-Base interactions energy: -1166.930
where: short stacking energy: -516.261
Base-Backbone interact. energy: -2.767
local terms energy: -505.808646
where:
bonds (distance) C4'-P energy: -91.676
bonds (distance) P-C4' energy: -86.006
flat angles C4'-P-C4' energy: -105.677
flat angles P-C4'-P energy: -79.069
tors. eta vs tors. theta energy: -143.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1602.101107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.101107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.101107 (E_RNA)
where:
Base-Base interactions energy: -1113.028
where: short stacking energy: -506.580
Base-Backbone interact. energy: 1.073
local terms energy: -490.145995
where:
bonds (distance) C4'-P energy: -90.435
bonds (distance) P-C4' energy: -97.949
flat angles C4'-P-C4' energy: -94.061
flat angles P-C4'-P energy: -64.293
tors. eta vs tors. theta energy: -143.408
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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1565.610954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.610954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.610954 (E_RNA)
where:
Base-Base interactions energy: -1088.038
where: short stacking energy: -477.360
Base-Backbone interact. energy: -2.779
local terms energy: -474.793391
where:
bonds (distance) C4'-P energy: -83.956
bonds (distance) P-C4' energy: -77.569
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -66.013
tors. eta vs tors. theta energy: -143.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1457.280822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.280822 (E_RNA)
where:
Base-Base interactions energy: -1042.707
where: short stacking energy: -436.380
Base-Backbone interact. energy: -1.684
local terms energy: -412.890324
where:
bonds (distance) C4'-P energy: -73.648
bonds (distance) P-C4' energy: -74.791
flat angles C4'-P-C4' energy: -95.535
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -111.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1363.607589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.607589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.607589 (E_RNA)
where:
Base-Base interactions energy: -931.784
where: short stacking energy: -409.539
Base-Backbone interact. energy: -0.899
local terms energy: -430.924061
where:
bonds (distance) C4'-P energy: -62.603
bonds (distance) P-C4' energy: -79.565
flat angles C4'-P-C4' energy: -99.384
flat angles P-C4'-P energy: -70.290
tors. eta vs tors. theta energy: -119.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1264.043396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.043396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.043396 (E_RNA)
where:
Base-Base interactions energy: -854.508
where: short stacking energy: -404.749
Base-Backbone interact. energy: -1.386
local terms energy: -408.149644
where:
bonds (distance) C4'-P energy: -77.941
bonds (distance) P-C4' energy: -74.307
flat angles C4'-P-C4' energy: -83.425
flat angles P-C4'-P energy: -65.923
tors. eta vs tors. theta energy: -106.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1117.039920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.039920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.039920 (E_RNA)
where:
Base-Base interactions energy: -753.117
where: short stacking energy: -362.585
Base-Backbone interact. energy: -1.106
local terms energy: -362.815977
where:
bonds (distance) C4'-P energy: -79.515
bonds (distance) P-C4' energy: -64.343
flat angles C4'-P-C4' energy: -69.324
flat angles P-C4'-P energy: -58.312
tors. eta vs tors. theta energy: -91.322
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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -986.538306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.538306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.538306 (E_RNA)
where:
Base-Base interactions energy: -632.754
where: short stacking energy: -283.689
Base-Backbone interact. energy: -1.017
local terms energy: -352.767349
where:
bonds (distance) C4'-P energy: -78.871
bonds (distance) P-C4' energy: -91.532
flat angles C4'-P-C4' energy: -71.200
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -56.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -823.158187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.158187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.158187 (E_RNA)
where:
Base-Base interactions energy: -556.900
where: short stacking energy: -248.749
Base-Backbone interact. energy: -0.231
local terms energy: -266.026973
where:
bonds (distance) C4'-P energy: -63.769
bonds (distance) P-C4' energy: -63.810
flat angles C4'-P-C4' energy: -67.899
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -35.254
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: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -638.382604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.382604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.382604 (E_RNA)
where:
Base-Base interactions energy: -382.697
where: short stacking energy: -168.582
Base-Backbone interact. energy: -3.557
local terms energy: -252.129415
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -70.974
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1661.144717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.144717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.144717 (E_RNA)
where:
Base-Base interactions energy: -1150.318
where: short stacking energy: -491.996
Base-Backbone interact. energy: -2.609
local terms energy: -508.217791
where:
bonds (distance) C4'-P energy: -95.534
bonds (distance) P-C4' energy: -86.201
flat angles C4'-P-C4' energy: -107.687
flat angles P-C4'-P energy: -78.018
tors. eta vs tors. theta energy: -140.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1584.466603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.466603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.466603 (E_RNA)
where:
Base-Base interactions energy: -1082.054
where: short stacking energy: -487.664
Base-Backbone interact. energy: 2.541
local terms energy: -504.954085
where:
bonds (distance) C4'-P energy: -78.663
bonds (distance) P-C4' energy: -93.286
flat angles C4'-P-C4' energy: -109.804
flat angles P-C4'-P energy: -78.490
tors. eta vs tors. theta energy: -144.710
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: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1563.015894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.015894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.015894 (E_RNA)
where:
Base-Base interactions energy: -1077.124
where: short stacking energy: -479.631
Base-Backbone interact. energy: 0.718
local terms energy: -486.610185
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -87.108
flat angles C4'-P-C4' energy: -100.648
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -143.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1456.642208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.642208 (E_RNA)
where:
Base-Base interactions energy: -1006.287
where: short stacking energy: -420.650
Base-Backbone interact. energy: -2.229
local terms energy: -448.126132
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -89.582
flat angles C4'-P-C4' energy: -107.324
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -105.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1358.194063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.194063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.194063 (E_RNA)
where:
Base-Base interactions energy: -922.499
where: short stacking energy: -391.322
Base-Backbone interact. energy: -2.345
local terms energy: -433.349933
where:
bonds (distance) C4'-P energy: -67.929
bonds (distance) P-C4' energy: -91.737
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -65.332
tors. eta vs tors. theta energy: -114.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1336.619070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.619070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.619070 (E_RNA)
where:
Base-Base interactions energy: -911.694
where: short stacking energy: -412.579
Base-Backbone interact. energy: -1.550
local terms energy: -423.374920
where:
bonds (distance) C4'-P energy: -72.169
bonds (distance) P-C4' energy: -80.763
flat angles C4'-P-C4' energy: -102.277
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -118.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1180.119662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.119662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.119662 (E_RNA)
where:
Base-Base interactions energy: -794.478
where: short stacking energy: -387.588
Base-Backbone interact. energy: -0.628
local terms energy: -385.013077
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -74.295
flat angles C4'-P-C4' energy: -91.885
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -100.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -977.082638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.082638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.082638 (E_RNA)
where:
Base-Base interactions energy: -651.417
where: short stacking energy: -279.800
Base-Backbone interact. energy: -2.889
local terms energy: -322.776629
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -838.243721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.243721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.243721 (E_RNA)
where:
Base-Base interactions energy: -532.316
where: short stacking energy: -273.697
Base-Backbone interact. energy: -1.731
local terms energy: -304.197369
where:
bonds (distance) C4'-P energy: -72.644
bonds (distance) P-C4' energy: -85.081
flat angles C4'-P-C4' energy: -63.715
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -42.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -693.243006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.243006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.243006 (E_RNA)
where:
Base-Base interactions energy: -409.393
where: short stacking energy: -203.924
Base-Backbone interact. energy: 0.537
local terms energy: -284.387214
where:
bonds (distance) C4'-P energy: -74.625
bonds (distance) P-C4' energy: -77.993
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -23.933
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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1689.075142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.075142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.075142 (E_RNA)
where:
Base-Base interactions energy: -1175.041
where: short stacking energy: -533.636
Base-Backbone interact. energy: -0.682
local terms energy: -513.351881
where:
bonds (distance) C4'-P energy: -98.706
bonds (distance) P-C4' energy: -88.624
flat angles C4'-P-C4' energy: -102.740
flat angles P-C4'-P energy: -77.189
tors. eta vs tors. theta energy: -146.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1570.644568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.644568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.644568 (E_RNA)
where:
Base-Base interactions energy: -1077.745
where: short stacking energy: -459.219
Base-Backbone interact. energy: -2.246
local terms energy: -490.653509
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -93.180
flat angles P-C4'-P energy: -72.399
tors. eta vs tors. theta energy: -140.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1544.808955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.808955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.808955 (E_RNA)
where:
Base-Base interactions energy: -1074.876
where: short stacking energy: -456.766
Base-Backbone interact. energy: -3.997
local terms energy: -465.936676
where:
bonds (distance) C4'-P energy: -88.010
bonds (distance) P-C4' energy: -94.154
flat angles C4'-P-C4' energy: -97.729
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -133.708
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: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1468.607774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.607774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.607774 (E_RNA)
where:
Base-Base interactions energy: -1036.151
where: short stacking energy: -429.651
Base-Backbone interact. energy: -1.376
local terms energy: -431.080970
where:
bonds (distance) C4'-P energy: -92.590
bonds (distance) P-C4' energy: -79.849
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -117.534
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1371.765833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.765833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.765833 (E_RNA)
where:
Base-Base interactions energy: -933.759
where: short stacking energy: -428.401
Base-Backbone interact. energy: -1.165
local terms energy: -436.842514
where:
bonds (distance) C4'-P energy: -80.749
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -89.763
flat angles P-C4'-P energy: -57.040
tors. eta vs tors. theta energy: -118.779
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: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1310.546995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.546995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.546995 (E_RNA)
where:
Base-Base interactions energy: -896.014
where: short stacking energy: -403.111
Base-Backbone interact. energy: -2.116
local terms energy: -412.416448
where:
bonds (distance) C4'-P energy: -85.879
bonds (distance) P-C4' energy: -77.394
flat angles C4'-P-C4' energy: -92.895
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -109.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1124.690073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.690073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.690073 (E_RNA)
where:
Base-Base interactions energy: -757.497
where: short stacking energy: -351.222
Base-Backbone interact. energy: -0.750
local terms energy: -366.443102
where:
bonds (distance) C4'-P energy: -77.526
bonds (distance) P-C4' energy: -61.611
flat angles C4'-P-C4' energy: -81.644
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -87.549
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: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1000.759318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.759318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.759318 (E_RNA)
where:
Base-Base interactions energy: -655.266
where: short stacking energy: -307.747
Base-Backbone interact. energy: -2.501
local terms energy: -342.992476
where:
bonds (distance) C4'-P energy: -78.656
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -86.668
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -59.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -784.923763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.923763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.923763 (E_RNA)
where:
Base-Base interactions energy: -483.505
where: short stacking energy: -224.687
Base-Backbone interact. energy: 1.679
local terms energy: -303.096851
where:
bonds (distance) C4'-P energy: -68.345
bonds (distance) P-C4' energy: -83.914
flat angles C4'-P-C4' energy: -85.063
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -31.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -658.121797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.121797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.121797 (E_RNA)
where:
Base-Base interactions energy: -377.167
where: short stacking energy: -196.568
Base-Backbone interact. energy: 4.422
local terms energy: -285.376634
where:
bonds (distance) C4'-P energy: -76.364
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -28.191
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: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1674.660236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.660236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.660236 (E_RNA)
where:
Base-Base interactions energy: -1161.774
where: short stacking energy: -524.082
Base-Backbone interact. energy: -2.680
local terms energy: -510.206098
where:
bonds (distance) C4'-P energy: -89.942
bonds (distance) P-C4' energy: -98.946
flat angles C4'-P-C4' energy: -104.380
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -145.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1572.178255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.178255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.178255 (E_RNA)
where:
Base-Base interactions energy: -1110.854
where: short stacking energy: -477.204
Base-Backbone interact. energy: -0.672
local terms energy: -460.652987
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -85.431
flat angles C4'-P-C4' energy: -105.978
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -136.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1542.398137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.398137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.398137 (E_RNA)
where:
Base-Base interactions energy: -1032.412
where: short stacking energy: -454.613
Base-Backbone interact. energy: -1.972
local terms energy: -508.014643
where:
bonds (distance) C4'-P energy: -98.781
bonds (distance) P-C4' energy: -87.586
flat angles C4'-P-C4' energy: -106.378
flat angles P-C4'-P energy: -77.376
tors. eta vs tors. theta energy: -137.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1451.944425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.944425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.944425 (E_RNA)
where:
Base-Base interactions energy: -1020.708
where: short stacking energy: -418.696
Base-Backbone interact. energy: 1.066
local terms energy: -432.302518
where:
bonds (distance) C4'-P energy: -82.021
bonds (distance) P-C4' energy: -88.105
flat angles C4'-P-C4' energy: -99.798
flat angles P-C4'-P energy: -55.584
tors. eta vs tors. theta energy: -106.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1345.162441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.162441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.162441 (E_RNA)
where:
Base-Base interactions energy: -908.112
where: short stacking energy: -397.443
Base-Backbone interact. energy: -0.753
local terms energy: -436.297232
where:
bonds (distance) C4'-P energy: -73.770
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -95.907
flat angles P-C4'-P energy: -58.486
tors. eta vs tors. theta energy: -118.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1253.260975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.260975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.260975 (E_RNA)
where:
Base-Base interactions energy: -847.058
where: short stacking energy: -388.490
Base-Backbone interact. energy: -0.647
local terms energy: -405.555984
where:
bonds (distance) C4'-P energy: -75.192
bonds (distance) P-C4' energy: -87.125
flat angles C4'-P-C4' energy: -90.170
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -99.448
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1137.908016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.908016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.908016 (E_RNA)
where:
Base-Base interactions energy: -754.081
where: short stacking energy: -347.466
Base-Backbone interact. energy: -1.770
local terms energy: -382.057189
where:
bonds (distance) C4'-P energy: -72.330
bonds (distance) P-C4' energy: -77.368
flat angles C4'-P-C4' energy: -90.675
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: -82.839
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: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -985.839466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.839466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.839466 (E_RNA)
where:
Base-Base interactions energy: -643.746
where: short stacking energy: -294.086
Base-Backbone interact. energy: -1.176
local terms energy: -340.917462
where:
bonds (distance) C4'-P energy: -86.557
bonds (distance) P-C4' energy: -80.914
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -53.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -811.010111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.010111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.010111 (E_RNA)
where:
Base-Base interactions energy: -475.728
where: short stacking energy: -234.759
Base-Backbone interact. energy: -1.599
local terms energy: -333.682288
where:
bonds (distance) C4'-P energy: -81.336
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -75.032
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: -51.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -659.217348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.217348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.217348 (E_RNA)
where:
Base-Base interactions energy: -382.621
where: short stacking energy: -184.525
Base-Backbone interact. energy: -1.541
local terms energy: -275.055550
where:
bonds (distance) C4'-P energy: -70.459
bonds (distance) P-C4' energy: -71.863
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -48.804
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1674.581532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.581532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.581532 (E_RNA)
where:
Base-Base interactions energy: -1183.507
where: short stacking energy: -519.335
Base-Backbone interact. energy: -2.515
local terms energy: -488.559483
where:
bonds (distance) C4'-P energy: -81.053
bonds (distance) P-C4' energy: -85.908
flat angles C4'-P-C4' energy: -117.129
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -139.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1580.315783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.315783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.315783 (E_RNA)
where:
Base-Base interactions energy: -1096.754
where: short stacking energy: -473.399
Base-Backbone interact. energy: -2.389
local terms energy: -481.172968
where:
bonds (distance) C4'-P energy: -84.854
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -69.978
tors. eta vs tors. theta energy: -139.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1512.295464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.295464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.295464 (E_RNA)
where:
Base-Base interactions energy: -1047.289
where: short stacking energy: -449.968
Base-Backbone interact. energy: -2.488
local terms energy: -462.518130
where:
bonds (distance) C4'-P energy: -88.770
bonds (distance) P-C4' energy: -87.889
flat angles C4'-P-C4' energy: -100.756
flat angles P-C4'-P energy: -63.977
tors. eta vs tors. theta energy: -121.126
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: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1457.139951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.139951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.139951 (E_RNA)
where:
Base-Base interactions energy: -1010.185
where: short stacking energy: -412.576
Base-Backbone interact. energy: -2.828
local terms energy: -444.127645
where:
bonds (distance) C4'-P energy: -87.658
bonds (distance) P-C4' energy: -76.296
flat angles C4'-P-C4' energy: -105.789
flat angles P-C4'-P energy: -56.271
tors. eta vs tors. theta energy: -118.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1361.450824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.450824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.450824 (E_RNA)
where:
Base-Base interactions energy: -903.440
where: short stacking energy: -417.935
Base-Backbone interact. energy: -4.145
local terms energy: -453.865060
where:
bonds (distance) C4'-P energy: -90.204
bonds (distance) P-C4' energy: -87.210
flat angles C4'-P-C4' energy: -97.804
flat angles P-C4'-P energy: -69.238
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1281.709313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.709313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.709313 (E_RNA)
where:
Base-Base interactions energy: -861.214
where: short stacking energy: -373.541
Base-Backbone interact. energy: -2.353
local terms energy: -418.141870
where:
bonds (distance) C4'-P energy: -78.450
bonds (distance) P-C4' energy: -90.544
flat angles C4'-P-C4' energy: -90.093
flat angles P-C4'-P energy: -55.736
tors. eta vs tors. theta energy: -103.318
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: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1138.971195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.971195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.971195 (E_RNA)
where:
Base-Base interactions energy: -771.403
where: short stacking energy: -356.403
Base-Backbone interact. energy: 0.664
local terms energy: -368.231756
where:
bonds (distance) C4'-P energy: -67.951
bonds (distance) P-C4' energy: -76.878
flat angles C4'-P-C4' energy: -92.804
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -81.415
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: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -948.851888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.851888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.851888 (E_RNA)
where:
Base-Base interactions energy: -587.521
where: short stacking energy: -248.639
Base-Backbone interact. energy: -2.321
local terms energy: -359.010527
where:
bonds (distance) C4'-P energy: -83.232
bonds (distance) P-C4' energy: -99.517
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -45.367
tors. eta vs tors. theta energy: -50.410
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -880.626246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.626246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.626246 (E_RNA)
where:
Base-Base interactions energy: -566.380
where: short stacking energy: -291.414
Base-Backbone interact. energy: 5.800
local terms energy: -320.046529
where:
bonds (distance) C4'-P energy: -67.364
bonds (distance) P-C4' energy: -69.453
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: -63.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -668.869440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.869440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.869440 (E_RNA)
where:
Base-Base interactions energy: -386.352
where: short stacking energy: -176.764
Base-Backbone interact. energy: -1.955
local terms energy: -280.562530
where:
bonds (distance) C4'-P energy: -61.901
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1691.680463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.680463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.680463 (E_RNA)
where:
Base-Base interactions energy: -1191.270
where: short stacking energy: -523.535
Base-Backbone interact. energy: -2.564
local terms energy: -497.846744
where:
bonds (distance) C4'-P energy: -79.514
bonds (distance) P-C4' energy: -95.849
flat angles C4'-P-C4' energy: -111.261
flat angles P-C4'-P energy: -71.129
tors. eta vs tors. theta energy: -140.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1571.765872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.765872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.765872 (E_RNA)
where:
Base-Base interactions energy: -1087.375
where: short stacking energy: -491.751
Base-Backbone interact. energy: -1.315
local terms energy: -483.075131
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -95.805
flat angles C4'-P-C4' energy: -99.763
flat angles P-C4'-P energy: -66.624
tors. eta vs tors. theta energy: -145.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1508.985184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.985184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.985184 (E_RNA)
where:
Base-Base interactions energy: -1046.911
where: short stacking energy: -466.099
Base-Backbone interact. energy: -3.028
local terms energy: -459.045889
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -96.946
flat angles C4'-P-C4' energy: -94.519
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -121.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1462.960755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.960755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.960755 (E_RNA)
where:
Base-Base interactions energy: -1038.756
where: short stacking energy: -443.337
Base-Backbone interact. energy: -1.135
local terms energy: -423.069867
where:
bonds (distance) C4'-P energy: -73.042
bonds (distance) P-C4' energy: -70.974
flat angles C4'-P-C4' energy: -98.460
flat angles P-C4'-P energy: -61.866
tors. eta vs tors. theta energy: -118.729
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: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1361.468428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.468428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.468428 (E_RNA)
where:
Base-Base interactions energy: -934.295
where: short stacking energy: -395.760
Base-Backbone interact. energy: -1.542
local terms energy: -425.631414
where:
bonds (distance) C4'-P energy: -75.948
bonds (distance) P-C4' energy: -82.894
flat angles C4'-P-C4' energy: -90.035
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -115.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1278.839666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.839666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.839666 (E_RNA)
where:
Base-Base interactions energy: -887.339
where: short stacking energy: -402.358
Base-Backbone interact. energy: -1.027
local terms energy: -390.473960
where:
bonds (distance) C4'-P energy: -73.624
bonds (distance) P-C4' energy: -76.941
flat angles C4'-P-C4' energy: -87.702
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -107.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1140.927166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.927166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.927166 (E_RNA)
where:
Base-Base interactions energy: -774.793
where: short stacking energy: -326.758
Base-Backbone interact. energy: 1.375
local terms energy: -367.509225
where:
bonds (distance) C4'-P energy: -78.716
bonds (distance) P-C4' energy: -76.989
flat angles C4'-P-C4' energy: -90.770
flat angles P-C4'-P energy: -44.001
tors. eta vs tors. theta energy: -77.034
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: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -958.360273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.360273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.360273 (E_RNA)
where:
Base-Base interactions energy: -652.186
where: short stacking energy: -280.363
Base-Backbone interact. energy: 0.154
local terms energy: -306.328100
where:
bonds (distance) C4'-P energy: -71.078
bonds (distance) P-C4' energy: -64.814
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -56.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -872.692644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.692644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.692644 (E_RNA)
where:
Base-Base interactions energy: -523.438
where: short stacking energy: -258.209
Base-Backbone interact. energy: -0.198
local terms energy: -349.056892
where:
bonds (distance) C4'-P energy: -68.274
bonds (distance) P-C4' energy: -90.221
flat angles C4'-P-C4' energy: -89.421
flat angles P-C4'-P energy: -52.201
tors. eta vs tors. theta energy: -48.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -607.470284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.470284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.470284 (E_RNA)
where:
Base-Base interactions energy: -343.026
where: short stacking energy: -168.553
Base-Backbone interact. energy: -0.499
local terms energy: -263.945621
where:
bonds (distance) C4'-P energy: -55.668
bonds (distance) P-C4' energy: -81.742
flat angles C4'-P-C4' energy: -70.273
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: -19.156
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: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1670.131505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.131505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.131505 (E_RNA)
where:
Base-Base interactions energy: -1157.635
where: short stacking energy: -493.258
Base-Backbone interact. energy: -2.516
local terms energy: -509.980683
where:
bonds (distance) C4'-P energy: -95.287
bonds (distance) P-C4' energy: -93.604
flat angles C4'-P-C4' energy: -103.276
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -141.371
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1570.034665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.034665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.034665 (E_RNA)
where:
Base-Base interactions energy: -1091.652
where: short stacking energy: -495.032
Base-Backbone interact. energy: -2.029
local terms energy: -476.353416
where:
bonds (distance) C4'-P energy: -93.307
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -64.670
tors. eta vs tors. theta energy: -135.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1554.268556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.268556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.268556 (E_RNA)
where:
Base-Base interactions energy: -1071.609
where: short stacking energy: -488.108
Base-Backbone interact. energy: -0.336
local terms energy: -482.324232
where:
bonds (distance) C4'-P energy: -71.806
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -111.696
flat angles P-C4'-P energy: -65.808
tors. eta vs tors. theta energy: -142.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1433.708335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.708335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.708335 (E_RNA)
where:
Base-Base interactions energy: -1004.018
where: short stacking energy: -413.242
Base-Backbone interact. energy: 0.787
local terms energy: -430.476702
where:
bonds (distance) C4'-P energy: -77.725
bonds (distance) P-C4' energy: -84.931
flat angles C4'-P-C4' energy: -95.706
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -108.594
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1371.094700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.094700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.094700 (E_RNA)
where:
Base-Base interactions energy: -945.189
where: short stacking energy: -431.215
Base-Backbone interact. energy: -2.286
local terms energy: -423.619704
where:
bonds (distance) C4'-P energy: -81.325
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -97.159
flat angles P-C4'-P energy: -63.832
tors. eta vs tors. theta energy: -114.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1317.750335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.750335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.750335 (E_RNA)
where:
Base-Base interactions energy: -882.675
where: short stacking energy: -415.903
Base-Backbone interact. energy: -1.247
local terms energy: -433.828086
where:
bonds (distance) C4'-P energy: -77.674
bonds (distance) P-C4' energy: -78.857
flat angles C4'-P-C4' energy: -94.434
flat angles P-C4'-P energy: -60.005
tors. eta vs tors. theta energy: -122.857
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: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1158.853190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.853190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.853190 (E_RNA)
where:
Base-Base interactions energy: -789.401
where: short stacking energy: -323.801
Base-Backbone interact. energy: 1.337
local terms energy: -370.789719
where:
bonds (distance) C4'-P energy: -82.244
bonds (distance) P-C4' energy: -88.988
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -53.155
tors. eta vs tors. theta energy: -67.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -999.985781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.985781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.985781 (E_RNA)
where:
Base-Base interactions energy: -649.952
where: short stacking energy: -298.462
Base-Backbone interact. energy: -3.609
local terms energy: -346.424469
where:
bonds (distance) C4'-P energy: -61.540
bonds (distance) P-C4' energy: -78.365
flat angles C4'-P-C4' energy: -80.396
flat angles P-C4'-P energy: -56.260
tors. eta vs tors. theta energy: -69.864
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: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -819.223977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.223977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.223977 (E_RNA)
where:
Base-Base interactions energy: -485.288
where: short stacking energy: -248.491
Base-Backbone interact. energy: 1.189
local terms energy: -335.124823
where:
bonds (distance) C4'-P energy: -78.830
bonds (distance) P-C4' energy: -83.154
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -45.193
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: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -604.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.341514 (E_RNA)
where:
Base-Base interactions energy: -325.020
where: short stacking energy: -157.090
Base-Backbone interact. energy: -1.167
local terms energy: -278.154267
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -79.413
flat angles P-C4'-P energy: -45.286
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1662.691834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.691834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.691834 (E_RNA)
where:
Base-Base interactions energy: -1149.113
where: short stacking energy: -505.124
Base-Backbone interact. energy: -2.557
local terms energy: -511.021716
where:
bonds (distance) C4'-P energy: -94.330
bonds (distance) P-C4' energy: -96.845
flat angles C4'-P-C4' energy: -111.428
flat angles P-C4'-P energy: -66.048
tors. eta vs tors. theta energy: -142.371
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1578.428542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.428542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.428542 (E_RNA)
where:
Base-Base interactions energy: -1088.325
where: short stacking energy: -487.246
Base-Backbone interact. energy: -0.697
local terms energy: -489.407288
where:
bonds (distance) C4'-P energy: -88.737
bonds (distance) P-C4' energy: -92.978
flat angles C4'-P-C4' energy: -108.892
flat angles P-C4'-P energy: -56.085
tors. eta vs tors. theta energy: -142.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1563.002792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.002792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.002792 (E_RNA)
where:
Base-Base interactions energy: -1083.246
where: short stacking energy: -475.947
Base-Backbone interact. energy: -3.453
local terms energy: -476.304634
where:
bonds (distance) C4'-P energy: -80.404
bonds (distance) P-C4' energy: -93.026
flat angles C4'-P-C4' energy: -100.929
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -135.053
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: 306
Temperature: 1.050000
Total energy: -1460.801416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.801416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.801416 (E_RNA)
where:
Base-Base interactions energy: -1006.450
where: short stacking energy: -437.461
Base-Backbone interact. energy: 4.004
local terms energy: -458.355887
where:
bonds (distance) C4'-P energy: -81.703
bonds (distance) P-C4' energy: -92.138
flat angles C4'-P-C4' energy: -97.483
flat angles P-C4'-P energy: -69.112
tors. eta vs tors. theta energy: -117.920
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1344.664372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.664372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.664372 (E_RNA)
where:
Base-Base interactions energy: -917.901
where: short stacking energy: -386.437
Base-Backbone interact. energy: -1.834
local terms energy: -424.928998
where:
bonds (distance) C4'-P energy: -85.501
bonds (distance) P-C4' energy: -89.066
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -101.953
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1274.141190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.141190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.141190 (E_RNA)
where:
Base-Base interactions energy: -866.096
where: short stacking energy: -402.440
Base-Backbone interact. energy: -0.653
local terms energy: -407.392821
where:
bonds (distance) C4'-P energy: -55.728
bonds (distance) P-C4' energy: -88.023
flat angles C4'-P-C4' energy: -91.461
flat angles P-C4'-P energy: -66.852
tors. eta vs tors. theta energy: -105.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1183.051380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.051380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.051380 (E_RNA)
where:
Base-Base interactions energy: -805.271
where: short stacking energy: -367.100
Base-Backbone interact. energy: -2.432
local terms energy: -375.348435
where:
bonds (distance) C4'-P energy: -81.370
bonds (distance) P-C4' energy: -65.583
flat angles C4'-P-C4' energy: -91.555
flat angles P-C4'-P energy: -52.603
tors. eta vs tors. theta energy: -84.237
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: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1006.849557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.849557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.849557 (E_RNA)
where:
Base-Base interactions energy: -640.408
where: short stacking energy: -298.483
Base-Backbone interact. energy: -4.107
local terms energy: -362.334528
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -89.741
flat angles C4'-P-C4' energy: -80.245
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -68.694
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: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -798.992844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.992844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.992844 (E_RNA)
where:
Base-Base interactions energy: -492.761
where: short stacking energy: -227.854
Base-Backbone interact. energy: -1.503
local terms energy: -304.728521
where:
bonds (distance) C4'-P energy: -71.194
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -76.738
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -43.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -625.712616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.712616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.712616 (E_RNA)
where:
Base-Base interactions energy: -352.719
where: short stacking energy: -193.951
Base-Backbone interact. energy: 1.066
local terms energy: -274.059110
where:
bonds (distance) C4'-P energy: -63.315
bonds (distance) P-C4' energy: -67.356
flat angles C4'-P-C4' energy: -67.246
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -26.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1660.681084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.681084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.681084 (E_RNA)
where:
Base-Base interactions energy: -1156.629
where: short stacking energy: -508.223
Base-Backbone interact. energy: -2.388
local terms energy: -501.663524
where:
bonds (distance) C4'-P energy: -90.918
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -114.035
flat angles P-C4'-P energy: -63.431
tors. eta vs tors. theta energy: -142.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1570.935247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.935247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.935247 (E_RNA)
where:
Base-Base interactions energy: -1071.415
where: short stacking energy: -475.326
Base-Backbone interact. energy: -0.820
local terms energy: -498.699868
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -88.514
flat angles C4'-P-C4' energy: -103.470
flat angles P-C4'-P energy: -70.467
tors. eta vs tors. theta energy: -144.640
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: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1552.668232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.668232 (E_RNA)
where:
Base-Base interactions energy: -1081.350
where: short stacking energy: -478.180
Base-Backbone interact. energy: 0.246
local terms energy: -471.564477
where:
bonds (distance) C4'-P energy: -85.481
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -96.620
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -134.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1452.388955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.388955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.388955 (E_RNA)
where:
Base-Base interactions energy: -1025.278
where: short stacking energy: -415.892
Base-Backbone interact. energy: 6.547
local terms energy: -433.658253
where:
bonds (distance) C4'-P energy: -91.020
bonds (distance) P-C4' energy: -80.013
flat angles C4'-P-C4' energy: -90.079
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -106.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1360.379625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.379625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.379625 (E_RNA)
where:
Base-Base interactions energy: -935.839
where: short stacking energy: -415.847
Base-Backbone interact. energy: -0.505
local terms energy: -424.035497
where:
bonds (distance) C4'-P energy: -78.684
bonds (distance) P-C4' energy: -69.072
flat angles C4'-P-C4' energy: -92.430
flat angles P-C4'-P energy: -65.251
tors. eta vs tors. theta energy: -118.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1258.603528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.603528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.603528 (E_RNA)
where:
Base-Base interactions energy: -850.791
where: short stacking energy: -379.542
Base-Backbone interact. energy: -2.698
local terms energy: -405.114544
where:
bonds (distance) C4'-P energy: -68.249
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -95.373
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -106.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1133.946064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.946064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.946064 (E_RNA)
where:
Base-Base interactions energy: -779.983
where: short stacking energy: -319.587
Base-Backbone interact. energy: -2.633
local terms energy: -351.330617
where:
bonds (distance) C4'-P energy: -78.300
bonds (distance) P-C4' energy: -81.597
flat angles C4'-P-C4' energy: -74.670
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -994.567013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.567013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.567013 (E_RNA)
where:
Base-Base interactions energy: -630.575
where: short stacking energy: -282.362
Base-Backbone interact. energy: -0.681
local terms energy: -363.311002
where:
bonds (distance) C4'-P energy: -95.458
bonds (distance) P-C4' energy: -81.232
flat angles C4'-P-C4' energy: -77.461
flat angles P-C4'-P energy: -47.577
tors. eta vs tors. theta energy: -61.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -831.722987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.722987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.722987 (E_RNA)
where:
Base-Base interactions energy: -511.382
where: short stacking energy: -235.108
Base-Backbone interact. energy: -1.886
local terms energy: -318.455213
where:
bonds (distance) C4'-P energy: -76.635
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -601.223170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.223170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.223170 (E_RNA)
where:
Base-Base interactions energy: -336.391
where: short stacking energy: -172.635
Base-Backbone interact. energy: 1.867
local terms energy: -266.699067
where:
bonds (distance) C4'-P energy: -73.556
bonds (distance) P-C4' energy: -80.732
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -22.507
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1672.682843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.682843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.682843 (E_RNA)
where:
Base-Base interactions energy: -1167.349
where: short stacking energy: -512.045
Base-Backbone interact. energy: -0.747
local terms energy: -504.586927
where:
bonds (distance) C4'-P energy: -93.020
bonds (distance) P-C4' energy: -93.415
flat angles C4'-P-C4' energy: -108.519
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -142.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1574.861175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.861175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.861175 (E_RNA)
where:
Base-Base interactions energy: -1083.332
where: short stacking energy: -474.564
Base-Backbone interact. energy: -1.369
local terms energy: -490.160435
where:
bonds (distance) C4'-P energy: -85.807
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -100.131
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -137.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1557.599814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.599814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.599814 (E_RNA)
where:
Base-Base interactions energy: -1082.163
where: short stacking energy: -469.866
Base-Backbone interact. energy: -2.069
local terms energy: -473.367356
where:
bonds (distance) C4'-P energy: -79.500
bonds (distance) P-C4' energy: -91.329
flat angles C4'-P-C4' energy: -94.271
flat angles P-C4'-P energy: -68.661
tors. eta vs tors. theta energy: -139.607
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: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1469.596955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.596955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.596955 (E_RNA)
where:
Base-Base interactions energy: -1022.970
where: short stacking energy: -435.260
Base-Backbone interact. energy: -2.033
local terms energy: -444.593735
where:
bonds (distance) C4'-P energy: -77.389
bonds (distance) P-C4' energy: -84.271
flat angles C4'-P-C4' energy: -99.833
flat angles P-C4'-P energy: -72.602
tors. eta vs tors. theta energy: -110.499
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: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1376.067584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.067584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.067584 (E_RNA)
where:
Base-Base interactions energy: -926.070
where: short stacking energy: -417.265
Base-Backbone interact. energy: -1.188
local terms energy: -448.809097
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -75.234
flat angles C4'-P-C4' energy: -90.001
flat angles P-C4'-P energy: -76.826
tors. eta vs tors. theta energy: -114.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1232.536398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.536398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.536398 (E_RNA)
where:
Base-Base interactions energy: -803.060
where: short stacking energy: -370.356
Base-Backbone interact. energy: -0.940
local terms energy: -428.535725
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -66.839
tors. eta vs tors. theta energy: -95.380
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: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1182.372396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.372396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.372396 (E_RNA)
where:
Base-Base interactions energy: -786.982
where: short stacking energy: -350.361
Base-Backbone interact. energy: -2.341
local terms energy: -393.048831
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -79.104
flat angles C4'-P-C4' energy: -79.201
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -91.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1023.019892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.019892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.019892 (E_RNA)
where:
Base-Base interactions energy: -675.292
where: short stacking energy: -313.316
Base-Backbone interact. energy: -2.228
local terms energy: -345.499553
where:
bonds (distance) C4'-P energy: -67.791
bonds (distance) P-C4' energy: -75.277
flat angles C4'-P-C4' energy: -79.564
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -865.870022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.870022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.870022 (E_RNA)
where:
Base-Base interactions energy: -548.747
where: short stacking energy: -257.963
Base-Backbone interact. energy: 0.491
local terms energy: -317.613524
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -82.387
flat angles C4'-P-C4' energy: -78.372
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -44.094
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: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -621.079744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.079744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.079744 (E_RNA)
where:
Base-Base interactions energy: -353.544
where: short stacking energy: -200.592
Base-Backbone interact. energy: -0.071
local terms energy: -267.465204
where:
bonds (distance) C4'-P energy: -61.336
bonds (distance) P-C4' energy: -74.848
flat angles C4'-P-C4' energy: -79.445
flat angles P-C4'-P energy: -33.951
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1670.133817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.133817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.133817 (E_RNA)
where:
Base-Base interactions energy: -1184.153
where: short stacking energy: -520.909
Base-Backbone interact. energy: -3.977
local terms energy: -482.003950
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -88.461
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -63.760
tors. eta vs tors. theta energy: -142.694
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: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1598.912771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.912771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.912771 (E_RNA)
where:
Base-Base interactions energy: -1082.945
where: short stacking energy: -484.480
Base-Backbone interact. energy: -2.227
local terms energy: -513.741129
where:
bonds (distance) C4'-P energy: -93.093
bonds (distance) P-C4' energy: -98.473
flat angles C4'-P-C4' energy: -108.746
flat angles P-C4'-P energy: -70.321
tors. eta vs tors. theta energy: -143.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1554.058108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.058108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.058108 (E_RNA)
where:
Base-Base interactions energy: -1060.508
where: short stacking energy: -472.570
Base-Backbone interact. energy: -2.758
local terms energy: -490.792685
where:
bonds (distance) C4'-P energy: -96.675
bonds (distance) P-C4' energy: -87.292
flat angles C4'-P-C4' energy: -104.161
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -135.312
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1445.232176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.232176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.232176 (E_RNA)
where:
Base-Base interactions energy: -1001.315
where: short stacking energy: -426.937
Base-Backbone interact. energy: -1.448
local terms energy: -442.469376
where:
bonds (distance) C4'-P energy: -87.033
bonds (distance) P-C4' energy: -83.787
flat angles C4'-P-C4' energy: -94.222
flat angles P-C4'-P energy: -65.791
tors. eta vs tors. theta energy: -111.636
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: 309
Temperature: 1.100000
Total energy: -1388.182051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.182051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.182051 (E_RNA)
where:
Base-Base interactions energy: -951.267
where: short stacking energy: -427.826
Base-Backbone interact. energy: -0.946
local terms energy: -435.968919
where:
bonds (distance) C4'-P energy: -82.998
bonds (distance) P-C4' energy: -85.043
flat angles C4'-P-C4' energy: -97.311
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -117.861
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: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1214.322693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.322693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.322693 (E_RNA)
where:
Base-Base interactions energy: -796.587
where: short stacking energy: -366.203
Base-Backbone interact. energy: -2.022
local terms energy: -415.713619
where:
bonds (distance) C4'-P energy: -69.559
bonds (distance) P-C4' energy: -97.742
flat angles C4'-P-C4' energy: -94.859
flat angles P-C4'-P energy: -67.392
tors. eta vs tors. theta energy: -86.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1174.186649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.186649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.186649 (E_RNA)
where:
Base-Base interactions energy: -810.052
where: short stacking energy: -363.459
Base-Backbone interact. energy: -1.558
local terms energy: -362.577115
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -69.268
flat angles C4'-P-C4' energy: -90.011
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -87.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -953.598149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.598149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.598149 (E_RNA)
where:
Base-Base interactions energy: -616.380
where: short stacking energy: -285.649
Base-Backbone interact. energy: -1.474
local terms energy: -335.745096
where:
bonds (distance) C4'-P energy: -72.988
bonds (distance) P-C4' energy: -77.674
flat angles C4'-P-C4' energy: -77.082
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -65.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -878.654856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.654856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.654856 (E_RNA)
where:
Base-Base interactions energy: -545.335
where: short stacking energy: -249.572
Base-Backbone interact. energy: -2.151
local terms energy: -331.168838
where:
bonds (distance) C4'-P energy: -76.181
bonds (distance) P-C4' energy: -85.817
flat angles C4'-P-C4' energy: -84.565
flat angles P-C4'-P energy: -38.218
tors. eta vs tors. theta energy: -46.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -562.159486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.159486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.159486 (E_RNA)
where:
Base-Base interactions energy: -309.145
where: short stacking energy: -172.170
Base-Backbone interact. energy: -0.246
local terms energy: -252.767804
where:
bonds (distance) C4'-P energy: -65.073
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -75.424
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1662.694824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.694824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.694824 (E_RNA)
where:
Base-Base interactions energy: -1157.913
where: short stacking energy: -499.745
Base-Backbone interact. energy: -2.284
local terms energy: -502.497522
where:
bonds (distance) C4'-P energy: -103.828
bonds (distance) P-C4' energy: -91.049
flat angles C4'-P-C4' energy: -89.137
flat angles P-C4'-P energy: -71.886
tors. eta vs tors. theta energy: -146.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1583.235382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.235382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.235382 (E_RNA)
where:
Base-Base interactions energy: -1081.032
where: short stacking energy: -483.537
Base-Backbone interact. energy: -0.676
local terms energy: -501.528117
where:
bonds (distance) C4'-P energy: -91.516
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -102.975
flat angles P-C4'-P energy: -73.281
tors. eta vs tors. theta energy: -137.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1562.103418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.103418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.103418 (E_RNA)
where:
Base-Base interactions energy: -1073.596
where: short stacking energy: -466.090
Base-Backbone interact. energy: -2.232
local terms energy: -486.275495
where:
bonds (distance) C4'-P energy: -79.155
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -70.628
tors. eta vs tors. theta energy: -137.105
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: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1471.717805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.717805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.717805 (E_RNA)
where:
Base-Base interactions energy: -1022.755
where: short stacking energy: -428.513
Base-Backbone interact. energy: -1.914
local terms energy: -447.048688
where:
bonds (distance) C4'-P energy: -82.774
bonds (distance) P-C4' energy: -97.640
flat angles C4'-P-C4' energy: -89.035
flat angles P-C4'-P energy: -63.777
tors. eta vs tors. theta energy: -113.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1372.295948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.295948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.295948 (E_RNA)
where:
Base-Base interactions energy: -944.588
where: short stacking energy: -400.221
Base-Backbone interact. energy: -1.397
local terms energy: -426.310946
where:
bonds (distance) C4'-P energy: -81.492
bonds (distance) P-C4' energy: -76.832
flat angles C4'-P-C4' energy: -100.060
flat angles P-C4'-P energy: -51.145
tors. eta vs tors. theta energy: -116.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1223.104761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.104761 (E_RNA)
where:
Base-Base interactions energy: -803.800
where: short stacking energy: -370.965
Base-Backbone interact. energy: -0.260
local terms energy: -419.044063
where:
bonds (distance) C4'-P energy: -78.922
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -91.331
flat angles P-C4'-P energy: -60.787
tors. eta vs tors. theta energy: -92.518
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: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1148.307553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.307553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.307553 (E_RNA)
where:
Base-Base interactions energy: -757.705
where: short stacking energy: -339.196
Base-Backbone interact. energy: 0.425
local terms energy: -391.027123
where:
bonds (distance) C4'-P energy: -74.657
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -97.388
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -80.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -994.456820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.456820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.456820 (E_RNA)
where:
Base-Base interactions energy: -665.918
where: short stacking energy: -294.749
Base-Backbone interact. energy: -2.491
local terms energy: -326.047427
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -87.103
flat angles C4'-P-C4' energy: -68.045
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -67.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -805.880236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.880236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.880236 (E_RNA)
where:
Base-Base interactions energy: -491.203
where: short stacking energy: -232.453
Base-Backbone interact. energy: 0.668
local terms energy: -315.344943
where:
bonds (distance) C4'-P energy: -73.061
bonds (distance) P-C4' energy: -80.292
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -48.812
tors. eta vs tors. theta energy: -37.762
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: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -529.517671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.517671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.517671 (E_RNA)
where:
Base-Base interactions energy: -279.125
where: short stacking energy: -159.984
Base-Backbone interact. energy: 1.266
local terms energy: -251.659547
where:
bonds (distance) C4'-P energy: -64.432
bonds (distance) P-C4' energy: -81.174
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1671.053598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.053598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.053598 (E_RNA)
where:
Base-Base interactions energy: -1149.643
where: short stacking energy: -527.972
Base-Backbone interact. energy: -2.308
local terms energy: -519.102603
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -112.912
flat angles P-C4'-P energy: -68.593
tors. eta vs tors. theta energy: -151.896
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: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1570.641768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.641768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.641768 (E_RNA)
where:
Base-Base interactions energy: -1084.300
where: short stacking energy: -501.384
Base-Backbone interact. energy: -0.933
local terms energy: -485.407878
where:
bonds (distance) C4'-P energy: -83.901
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -70.219
tors. eta vs tors. theta energy: -145.093
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: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1548.125503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.125503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.125503 (E_RNA)
where:
Base-Base interactions energy: -1081.172
where: short stacking energy: -469.530
Base-Backbone interact. energy: -0.118
local terms energy: -466.836037
where:
bonds (distance) C4'-P energy: -78.566
bonds (distance) P-C4' energy: -89.689
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -70.502
tors. eta vs tors. theta energy: -131.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1425.632576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.632576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.632576 (E_RNA)
where:
Base-Base interactions energy: -952.720
where: short stacking energy: -440.819
Base-Backbone interact. energy: -2.880
local terms energy: -470.032616
where:
bonds (distance) C4'-P energy: -88.940
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -90.201
flat angles P-C4'-P energy: -75.288
tors. eta vs tors. theta energy: -123.882
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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1414.080809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.080809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.080809 (E_RNA)
where:
Base-Base interactions energy: -976.394
where: short stacking energy: -433.643
Base-Backbone interact. energy: -1.646
local terms energy: -436.040814
where:
bonds (distance) C4'-P energy: -78.798
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -87.655
flat angles P-C4'-P energy: -66.639
tors. eta vs tors. theta energy: -116.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1187.847143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.847143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.847143 (E_RNA)
where:
Base-Base interactions energy: -798.492
where: short stacking energy: -363.188
Base-Backbone interact. energy: -0.745
local terms energy: -388.609554
where:
bonds (distance) C4'-P energy: -55.474
bonds (distance) P-C4' energy: -75.132
flat angles C4'-P-C4' energy: -101.254
flat angles P-C4'-P energy: -50.111
tors. eta vs tors. theta energy: -106.638
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: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1166.333732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.333732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.333732 (E_RNA)
where:
Base-Base interactions energy: -795.888
where: short stacking energy: -331.044
Base-Backbone interact. energy: -0.723
local terms energy: -369.722777
where:
bonds (distance) C4'-P energy: -81.903
bonds (distance) P-C4' energy: -70.482
flat angles C4'-P-C4' energy: -83.152
flat angles P-C4'-P energy: -57.389
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -968.539202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.539202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.539202 (E_RNA)
where:
Base-Base interactions energy: -616.130
where: short stacking energy: -294.603
Base-Backbone interact. energy: -0.391
local terms energy: -352.017920
where:
bonds (distance) C4'-P energy: -62.616
bonds (distance) P-C4' energy: -85.999
flat angles C4'-P-C4' energy: -81.719
flat angles P-C4'-P energy: -69.229
tors. eta vs tors. theta energy: -52.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -794.416476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.416476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.416476 (E_RNA)
where:
Base-Base interactions energy: -490.199
where: short stacking energy: -257.528
Base-Backbone interact. energy: 0.984
local terms energy: -305.202142
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -72.869
flat angles C4'-P-C4' energy: -81.389
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -41.661
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: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -628.715154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.715154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.715154 (E_RNA)
where:
Base-Base interactions energy: -375.294
where: short stacking energy: -191.213
Base-Backbone interact. energy: 5.539
local terms energy: -258.959556
where:
bonds (distance) C4'-P energy: -73.053
bonds (distance) P-C4' energy: -69.865
flat angles C4'-P-C4' energy: -59.093
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1663.836417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.836417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.836417 (E_RNA)
where:
Base-Base interactions energy: -1163.448
where: short stacking energy: -523.853
Base-Backbone interact. energy: -1.517
local terms energy: -498.871549
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -108.646
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -147.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1546.638943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.638943 (E_RNA)
where:
Base-Base interactions energy: -1051.733
where: short stacking energy: -496.924
Base-Backbone interact. energy: -0.057
local terms energy: -494.848567
where:
bonds (distance) C4'-P energy: -84.223
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -108.365
flat angles P-C4'-P energy: -70.181
tors. eta vs tors. theta energy: -142.901
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1529.776012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.776012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.776012 (E_RNA)
where:
Base-Base interactions energy: -1064.302
where: short stacking energy: -461.760
Base-Backbone interact. energy: -2.634
local terms energy: -462.839370
where:
bonds (distance) C4'-P energy: -87.875
bonds (distance) P-C4' energy: -85.249
flat angles C4'-P-C4' energy: -97.813
flat angles P-C4'-P energy: -59.303
tors. eta vs tors. theta energy: -132.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1432.388366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.388366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.388366 (E_RNA)
where:
Base-Base interactions energy: -988.836
where: short stacking energy: -430.678
Base-Backbone interact. energy: -0.965
local terms energy: -442.587665
where:
bonds (distance) C4'-P energy: -87.944
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -88.887
flat angles P-C4'-P energy: -60.944
tors. eta vs tors. theta energy: -117.277
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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1429.543911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.543911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.543911 (E_RNA)
where:
Base-Base interactions energy: -1002.244
where: short stacking energy: -414.159
Base-Backbone interact. energy: -1.343
local terms energy: -425.956297
where:
bonds (distance) C4'-P energy: -79.315
bonds (distance) P-C4' energy: -76.530
flat angles C4'-P-C4' energy: -91.566
flat angles P-C4'-P energy: -62.737
tors. eta vs tors. theta energy: -115.808
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: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1188.876219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.876219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.876219 (E_RNA)
where:
Base-Base interactions energy: -796.875
where: short stacking energy: -365.585
Base-Backbone interact. energy: 0.954
local terms energy: -392.955580
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -74.066
flat angles C4'-P-C4' energy: -89.148
flat angles P-C4'-P energy: -59.766
tors. eta vs tors. theta energy: -91.731
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: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1144.855866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.855866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.855866 (E_RNA)
where:
Base-Base interactions energy: -734.529
where: short stacking energy: -345.836
Base-Backbone interact. energy: -1.550
local terms energy: -408.777164
where:
bonds (distance) C4'-P energy: -75.657
bonds (distance) P-C4' energy: -95.918
flat angles C4'-P-C4' energy: -96.306
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -73.761
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: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1003.270738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.270738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.270738 (E_RNA)
where:
Base-Base interactions energy: -663.604
where: short stacking energy: -293.223
Base-Backbone interact. energy: 3.549
local terms energy: -343.216197
where:
bonds (distance) C4'-P energy: -74.556
bonds (distance) P-C4' energy: -92.179
flat angles C4'-P-C4' energy: -81.433
flat angles P-C4'-P energy: -48.236
tors. eta vs tors. theta energy: -46.812
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: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -822.182830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.182830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.182830 (E_RNA)
where:
Base-Base interactions energy: -507.514
where: short stacking energy: -232.924
Base-Backbone interact. energy: -1.623
local terms energy: -313.046241
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -76.644
flat angles C4'-P-C4' energy: -67.055
flat angles P-C4'-P energy: -61.970
tors. eta vs tors. theta energy: -39.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -646.244399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.244399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.244399 (E_RNA)
where:
Base-Base interactions energy: -381.689
where: short stacking energy: -194.005
Base-Backbone interact. energy: 0.380
local terms energy: -264.935426
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -84.539
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1650.321196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.321196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.321196 (E_RNA)
where:
Base-Base interactions energy: -1165.295
where: short stacking energy: -514.404
Base-Backbone interact. energy: -2.147
local terms energy: -482.879026
where:
bonds (distance) C4'-P energy: -82.263
bonds (distance) P-C4' energy: -86.835
flat angles C4'-P-C4' energy: -100.499
flat angles P-C4'-P energy: -74.904
tors. eta vs tors. theta energy: -138.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1571.064158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.064158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.064158 (E_RNA)
where:
Base-Base interactions energy: -1064.078
where: short stacking energy: -487.376
Base-Backbone interact. energy: -1.428
local terms energy: -505.558006
where:
bonds (distance) C4'-P energy: -101.962
bonds (distance) P-C4' energy: -86.623
flat angles C4'-P-C4' energy: -99.950
flat angles P-C4'-P energy: -69.640
tors. eta vs tors. theta energy: -147.382
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1543.994638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.994638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.994638 (E_RNA)
where:
Base-Base interactions energy: -1048.090
where: short stacking energy: -468.199
Base-Backbone interact. energy: 0.616
local terms energy: -496.521183
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -98.014
flat angles C4'-P-C4' energy: -95.440
flat angles P-C4'-P energy: -67.302
tors. eta vs tors. theta energy: -141.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1413.646678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.646678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.646678 (E_RNA)
where:
Base-Base interactions energy: -963.776
where: short stacking energy: -402.995
Base-Backbone interact. energy: -1.308
local terms energy: -448.562621
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -93.600
flat angles C4'-P-C4' energy: -100.403
flat angles P-C4'-P energy: -65.190
tors. eta vs tors. theta energy: -109.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1387.100580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.100580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.100580 (E_RNA)
where:
Base-Base interactions energy: -956.520
where: short stacking energy: -396.990
Base-Backbone interact. energy: 3.242
local terms energy: -433.822023
where:
bonds (distance) C4'-P energy: -87.195
bonds (distance) P-C4' energy: -84.914
flat angles C4'-P-C4' energy: -93.354
flat angles P-C4'-P energy: -60.310
tors. eta vs tors. theta energy: -108.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1189.207367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.207367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.207367 (E_RNA)
where:
Base-Base interactions energy: -789.906
where: short stacking energy: -349.973
Base-Backbone interact. energy: -0.900
local terms energy: -398.401269
where:
bonds (distance) C4'-P energy: -79.313
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -101.720
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -80.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1119.714214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.714214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.714214 (E_RNA)
where:
Base-Base interactions energy: -741.457
where: short stacking energy: -346.177
Base-Backbone interact. energy: 0.965
local terms energy: -379.221962
where:
bonds (distance) C4'-P energy: -63.781
bonds (distance) P-C4' energy: -85.331
flat angles C4'-P-C4' energy: -88.972
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -84.534
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: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1025.008203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.008203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.008203 (E_RNA)
where:
Base-Base interactions energy: -689.851
where: short stacking energy: -311.627
Base-Backbone interact. energy: -2.894
local terms energy: -332.263128
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -83.401
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -62.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -784.354543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.354543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.354543 (E_RNA)
where:
Base-Base interactions energy: -480.271
where: short stacking energy: -235.923
Base-Backbone interact. energy: -2.376
local terms energy: -301.707980
where:
bonds (distance) C4'-P energy: -70.187
bonds (distance) P-C4' energy: -99.214
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -599.943630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.943630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.943630 (E_RNA)
where:
Base-Base interactions energy: -330.403
where: short stacking energy: -175.179
Base-Backbone interact. energy: -1.745
local terms energy: -267.796140
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -72.989
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: -15.881
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1658.569591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.569591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.569591 (E_RNA)
where:
Base-Base interactions energy: -1153.648
where: short stacking energy: -508.869
Base-Backbone interact. energy: 2.448
local terms energy: -507.370201
where:
bonds (distance) C4'-P energy: -87.931
bonds (distance) P-C4' energy: -97.307
flat angles C4'-P-C4' energy: -105.900
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -139.656
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: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1584.642691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.642691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.642691 (E_RNA)
where:
Base-Base interactions energy: -1085.435
where: short stacking energy: -489.127
Base-Backbone interact. energy: -0.816
local terms energy: -498.391512
where:
bonds (distance) C4'-P energy: -91.626
bonds (distance) P-C4' energy: -87.740
flat angles C4'-P-C4' energy: -94.007
flat angles P-C4'-P energy: -72.200
tors. eta vs tors. theta energy: -152.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1576.558432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.558432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.558432 (E_RNA)
where:
Base-Base interactions energy: -1063.476
where: short stacking energy: -494.674
Base-Backbone interact. energy: -0.827
local terms energy: -512.256041
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -102.359
flat angles C4'-P-C4' energy: -109.424
flat angles P-C4'-P energy: -69.782
tors. eta vs tors. theta energy: -139.188
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: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1444.908559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.908559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.908559 (E_RNA)
where:
Base-Base interactions energy: -977.768
where: short stacking energy: -454.853
Base-Backbone interact. energy: -1.166
local terms energy: -465.974644
where:
bonds (distance) C4'-P energy: -78.302
bonds (distance) P-C4' energy: -87.269
flat angles C4'-P-C4' energy: -100.907
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -130.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1479.671256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.671256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.671256 (E_RNA)
where:
Base-Base interactions energy: -1034.657
where: short stacking energy: -422.758
Base-Backbone interact. energy: -2.902
local terms energy: -442.111548
where:
bonds (distance) C4'-P energy: -81.109
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -91.338
flat angles P-C4'-P energy: -64.551
tors. eta vs tors. theta energy: -112.325
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: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1279.193621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.193621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.193621 (E_RNA)
where:
Base-Base interactions energy: -884.512
where: short stacking energy: -382.201
Base-Backbone interact. energy: 1.577
local terms energy: -396.259310
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -75.387
flat angles C4'-P-C4' energy: -89.394
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -93.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1150.534200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.534200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.534200 (E_RNA)
where:
Base-Base interactions energy: -757.528
where: short stacking energy: -359.126
Base-Backbone interact. energy: -1.697
local terms energy: -391.309065
where:
bonds (distance) C4'-P energy: -77.432
bonds (distance) P-C4' energy: -86.219
flat angles C4'-P-C4' energy: -81.141
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -97.879
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: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1001.014239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.014239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.014239 (E_RNA)
where:
Base-Base interactions energy: -680.818
where: short stacking energy: -302.518
Base-Backbone interact. energy: -2.363
local terms energy: -317.832886
where:
bonds (distance) C4'-P energy: -87.846
bonds (distance) P-C4' energy: -68.814
flat angles C4'-P-C4' energy: -71.648
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -44.070
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: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -767.350643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.350643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.350643 (E_RNA)
where:
Base-Base interactions energy: -471.462
where: short stacking energy: -216.159
Base-Backbone interact. energy: 1.370
local terms energy: -297.258739
where:
bonds (distance) C4'-P energy: -76.863
bonds (distance) P-C4' energy: -81.623
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -583.934003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.934003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.934003 (E_RNA)
where:
Base-Base interactions energy: -317.146
where: short stacking energy: -156.371
Base-Backbone interact. energy: -0.306
local terms energy: -266.481432
where:
bonds (distance) C4'-P energy: -85.769
bonds (distance) P-C4' energy: -77.232
flat angles C4'-P-C4' energy: -77.007
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -4.506
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1648.217474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.217474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.217474 (E_RNA)
where:
Base-Base interactions energy: -1154.904
where: short stacking energy: -512.091
Base-Backbone interact. energy: -1.257
local terms energy: -492.056023
where:
bonds (distance) C4'-P energy: -83.293
bonds (distance) P-C4' energy: -88.652
flat angles C4'-P-C4' energy: -102.366
flat angles P-C4'-P energy: -79.499
tors. eta vs tors. theta energy: -138.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1600.356477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.356477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.356477 (E_RNA)
where:
Base-Base interactions energy: -1089.418
where: short stacking energy: -487.692
Base-Backbone interact. energy: -4.676
local terms energy: -506.261797
where:
bonds (distance) C4'-P energy: -84.216
bonds (distance) P-C4' energy: -95.207
flat angles C4'-P-C4' energy: -109.185
flat angles P-C4'-P energy: -76.671
tors. eta vs tors. theta energy: -140.983
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1554.857660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.857660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.857660 (E_RNA)
where:
Base-Base interactions energy: -1063.140
where: short stacking energy: -478.220
Base-Backbone interact. energy: -2.259
local terms energy: -489.457958
where:
bonds (distance) C4'-P energy: -83.749
bonds (distance) P-C4' energy: -90.335
flat angles C4'-P-C4' energy: -97.680
flat angles P-C4'-P energy: -71.978
tors. eta vs tors. theta energy: -145.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1441.159527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.159527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.159527 (E_RNA)
where:
Base-Base interactions energy: -998.975
where: short stacking energy: -418.790
Base-Backbone interact. energy: -1.285
local terms energy: -440.899345
where:
bonds (distance) C4'-P energy: -88.863
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -97.153
flat angles P-C4'-P energy: -50.302
tors. eta vs tors. theta energy: -118.901
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1401.371943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.371943 (E_RNA)
where:
Base-Base interactions energy: -980.806
where: short stacking energy: -415.626
Base-Backbone interact. energy: 1.517
local terms energy: -422.082808
where:
bonds (distance) C4'-P energy: -75.166
bonds (distance) P-C4' energy: -88.087
flat angles C4'-P-C4' energy: -95.436
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -108.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1251.109491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.109491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.109491 (E_RNA)
where:
Base-Base interactions energy: -862.229
where: short stacking energy: -366.982
Base-Backbone interact. energy: -1.850
local terms energy: -387.029629
where:
bonds (distance) C4'-P energy: -73.341
bonds (distance) P-C4' energy: -82.428
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -60.006
tors. eta vs tors. theta energy: -91.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1216.599035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.599035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.599035 (E_RNA)
where:
Base-Base interactions energy: -806.865
where: short stacking energy: -365.428
Base-Backbone interact. energy: -1.960
local terms energy: -407.773970
where:
bonds (distance) C4'-P energy: -71.135
bonds (distance) P-C4' energy: -90.431
flat angles C4'-P-C4' energy: -91.686
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -98.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1041.536887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.536887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.536887 (E_RNA)
where:
Base-Base interactions energy: -684.931
where: short stacking energy: -315.243
Base-Backbone interact. energy: 0.227
local terms energy: -356.832931
where:
bonds (distance) C4'-P energy: -71.860
bonds (distance) P-C4' energy: -87.630
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -70.115
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: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -798.268414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.268414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.268414 (E_RNA)
where:
Base-Base interactions energy: -490.861
where: short stacking energy: -219.238
Base-Backbone interact. energy: -1.867
local terms energy: -305.540931
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -79.797
flat angles C4'-P-C4' energy: -77.598
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -608.392302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.392302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.392302 (E_RNA)
where:
Base-Base interactions energy: -341.741
where: short stacking energy: -179.119
Base-Backbone interact. energy: 0.421
local terms energy: -267.072479
where:
bonds (distance) C4'-P energy: -76.171
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1621.305965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.305965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.305965 (E_RNA)
where:
Base-Base interactions energy: -1132.813
where: short stacking energy: -498.408
Base-Backbone interact. energy: -2.972
local terms energy: -485.520815
where:
bonds (distance) C4'-P energy: -80.669
bonds (distance) P-C4' energy: -83.235
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -75.180
tors. eta vs tors. theta energy: -142.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1660.941413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.941413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.941413 (E_RNA)
where:
Base-Base interactions energy: -1147.291
where: short stacking energy: -517.877
Base-Backbone interact. energy: -1.898
local terms energy: -511.752672
where:
bonds (distance) C4'-P energy: -85.471
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -103.981
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -147.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1582.587723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.587723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.587723 (E_RNA)
where:
Base-Base interactions energy: -1080.362
where: short stacking energy: -488.458
Base-Backbone interact. energy: 0.460
local terms energy: -502.686086
where:
bonds (distance) C4'-P energy: -87.888
bonds (distance) P-C4' energy: -91.167
flat angles C4'-P-C4' energy: -103.710
flat angles P-C4'-P energy: -67.411
tors. eta vs tors. theta energy: -152.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1436.216382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.216382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.216382 (E_RNA)
where:
Base-Base interactions energy: -1004.214
where: short stacking energy: -444.948
Base-Backbone interact. energy: 0.707
local terms energy: -432.709941
where:
bonds (distance) C4'-P energy: -74.933
bonds (distance) P-C4' energy: -83.290
flat angles C4'-P-C4' energy: -102.455
flat angles P-C4'-P energy: -52.619
tors. eta vs tors. theta energy: -119.413
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1374.101084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.101084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.101084 (E_RNA)
where:
Base-Base interactions energy: -940.674
where: short stacking energy: -403.689
Base-Backbone interact. energy: 2.025
local terms energy: -435.452106
where:
bonds (distance) C4'-P energy: -89.440
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -94.658
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -101.906
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: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1232.311794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.311794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.311794 (E_RNA)
where:
Base-Base interactions energy: -839.517
where: short stacking energy: -374.421
Base-Backbone interact. energy: 0.115
local terms energy: -392.910489
where:
bonds (distance) C4'-P energy: -78.277
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -82.824
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -83.716
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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1148.893891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.893891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.893891 (E_RNA)
where:
Base-Base interactions energy: -767.596
where: short stacking energy: -367.711
Base-Backbone interact. energy: 0.404
local terms energy: -381.701537
where:
bonds (distance) C4'-P energy: -67.506
bonds (distance) P-C4' energy: -83.410
flat angles C4'-P-C4' energy: -90.644
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -88.576
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: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1043.999847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.999847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.999847 (E_RNA)
where:
Base-Base interactions energy: -690.486
where: short stacking energy: -303.155
Base-Backbone interact. energy: -0.430
local terms energy: -353.084340
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -79.982
flat angles C4'-P-C4' energy: -79.213
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: -62.159
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -735.833345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.833345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.833345 (E_RNA)
where:
Base-Base interactions energy: -456.223
where: short stacking energy: -228.411
Base-Backbone interact. energy: 1.242
local terms energy: -280.852844
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -82.505
flat angles C4'-P-C4' energy: -66.586
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -29.249
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: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -601.206780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.206780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.206780 (E_RNA)
where:
Base-Base interactions energy: -328.924
where: short stacking energy: -165.751
Base-Backbone interact. energy: 5.499
local terms energy: -277.782344
where:
bonds (distance) C4'-P energy: -73.695
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1633.000182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.000182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.000182 (E_RNA)
where:
Base-Base interactions energy: -1132.132
where: short stacking energy: -505.711
Base-Backbone interact. energy: -0.275
local terms energy: -500.593780
where:
bonds (distance) C4'-P energy: -98.964
bonds (distance) P-C4' energy: -95.518
flat angles C4'-P-C4' energy: -104.843
flat angles P-C4'-P energy: -63.250
tors. eta vs tors. theta energy: -138.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1634.114632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.114632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.114632 (E_RNA)
where:
Base-Base interactions energy: -1155.725
where: short stacking energy: -498.211
Base-Backbone interact. energy: -1.153
local terms energy: -477.236557
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -85.227
flat angles C4'-P-C4' energy: -101.579
flat angles P-C4'-P energy: -64.807
tors. eta vs tors. theta energy: -142.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1563.526430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.526430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.526430 (E_RNA)
where:
Base-Base interactions energy: -1061.754
where: short stacking energy: -495.634
Base-Backbone interact. energy: -0.285
local terms energy: -501.486874
where:
bonds (distance) C4'-P energy: -95.066
bonds (distance) P-C4' energy: -87.763
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -67.264
tors. eta vs tors. theta energy: -143.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1437.187845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.187845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.187845 (E_RNA)
where:
Base-Base interactions energy: -976.063
where: short stacking energy: -439.349
Base-Backbone interact. energy: -3.840
local terms energy: -457.285000
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -95.445
flat angles P-C4'-P energy: -68.392
tors. eta vs tors. theta energy: -123.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1322.467728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.467728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.467728 (E_RNA)
where:
Base-Base interactions energy: -919.769
where: short stacking energy: -377.698
Base-Backbone interact. energy: 4.312
local terms energy: -407.011232
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -98.216
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -98.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1192.817116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.817116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.817116 (E_RNA)
where:
Base-Base interactions energy: -778.150
where: short stacking energy: -373.275
Base-Backbone interact. energy: 0.554
local terms energy: -415.221155
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -89.896
flat angles P-C4'-P energy: -52.719
tors. eta vs tors. theta energy: -105.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1177.875657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.875657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.875657 (E_RNA)
where:
Base-Base interactions energy: -776.985
where: short stacking energy: -351.548
Base-Backbone interact. energy: 2.097
local terms energy: -402.987510
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -80.145
flat angles C4'-P-C4' energy: -81.666
flat angles P-C4'-P energy: -58.572
tors. eta vs tors. theta energy: -99.816
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: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1015.465990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.465990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.465990 (E_RNA)
where:
Base-Base interactions energy: -689.235
where: short stacking energy: -307.261
Base-Backbone interact. energy: -1.278
local terms energy: -324.952906
where:
bonds (distance) C4'-P energy: -52.892
bonds (distance) P-C4' energy: -85.832
flat angles C4'-P-C4' energy: -80.351
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -65.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -729.617427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.617427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.617427 (E_RNA)
where:
Base-Base interactions energy: -430.710
where: short stacking energy: -205.589
Base-Backbone interact. energy: 0.026
local terms energy: -298.933648
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -77.175
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -52.729
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -628.184455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.184455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.184455 (E_RNA)
where:
Base-Base interactions energy: -363.515
where: short stacking energy: -190.328
Base-Backbone interact. energy: 1.613
local terms energy: -266.283047
where:
bonds (distance) C4'-P energy: -69.238
bonds (distance) P-C4' energy: -77.000
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1667.640369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.640369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.640369 (E_RNA)
where:
Base-Base interactions energy: -1157.513
where: short stacking energy: -496.575
Base-Backbone interact. energy: -2.293
local terms energy: -507.834806
where:
bonds (distance) C4'-P energy: -97.736
bonds (distance) P-C4' energy: -82.044
flat angles C4'-P-C4' energy: -104.036
flat angles P-C4'-P energy: -83.115
tors. eta vs tors. theta energy: -140.904
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: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1578.654338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.654338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.654338 (E_RNA)
where:
Base-Base interactions energy: -1114.083
where: short stacking energy: -467.869
Base-Backbone interact. energy: -1.833
local terms energy: -462.737752
where:
bonds (distance) C4'-P energy: -71.709
bonds (distance) P-C4' energy: -82.716
flat angles C4'-P-C4' energy: -104.687
flat angles P-C4'-P energy: -74.546
tors. eta vs tors. theta energy: -129.080
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: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1560.977527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.977527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.977527 (E_RNA)
where:
Base-Base interactions energy: -1050.485
where: short stacking energy: -491.303
Base-Backbone interact. energy: -0.925
local terms energy: -509.567314
where:
bonds (distance) C4'-P energy: -87.249
bonds (distance) P-C4' energy: -92.162
flat angles C4'-P-C4' energy: -106.798
flat angles P-C4'-P energy: -67.530
tors. eta vs tors. theta energy: -155.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1425.834615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.834615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.834615 (E_RNA)
where:
Base-Base interactions energy: -984.374
where: short stacking energy: -431.549
Base-Backbone interact. energy: -1.170
local terms energy: -440.291370
where:
bonds (distance) C4'-P energy: -82.109
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -94.083
flat angles P-C4'-P energy: -63.809
tors. eta vs tors. theta energy: -113.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1371.829012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.829012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.829012 (E_RNA)
where:
Base-Base interactions energy: -943.166
where: short stacking energy: -403.332
Base-Backbone interact. energy: -3.162
local terms energy: -425.501608
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -75.693
flat angles C4'-P-C4' energy: -91.771
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -108.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1202.596199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.596199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.596199 (E_RNA)
where:
Base-Base interactions energy: -794.685
where: short stacking energy: -356.660
Base-Backbone interact. energy: -2.814
local terms energy: -405.097488
where:
bonds (distance) C4'-P energy: -69.400
bonds (distance) P-C4' energy: -82.570
flat angles C4'-P-C4' energy: -88.998
flat angles P-C4'-P energy: -64.860
tors. eta vs tors. theta energy: -99.270
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: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1209.551807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.551807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.551807 (E_RNA)
where:
Base-Base interactions energy: -829.055
where: short stacking energy: -372.297
Base-Backbone interact. energy: -1.700
local terms energy: -378.796757
where:
bonds (distance) C4'-P energy: -69.004
bonds (distance) P-C4' energy: -74.149
flat angles C4'-P-C4' energy: -84.648
flat angles P-C4'-P energy: -54.256
tors. eta vs tors. theta energy: -96.740
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: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1035.424556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.424556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.424556 (E_RNA)
where:
Base-Base interactions energy: -681.110
where: short stacking energy: -282.325
Base-Backbone interact. energy: 1.007
local terms energy: -355.322240
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -58.519
tors. eta vs tors. theta energy: -65.632
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -659.392471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.392471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.392471 (E_RNA)
where:
Base-Base interactions energy: -365.083
where: short stacking energy: -194.937
Base-Backbone interact. energy: 0.225
local terms energy: -294.535016
where:
bonds (distance) C4'-P energy: -82.998
bonds (distance) P-C4' energy: -77.735
flat angles C4'-P-C4' energy: -62.129
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -21.080
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: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -660.108456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.108456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.108456 (E_RNA)
where:
Base-Base interactions energy: -377.727
where: short stacking energy: -201.307
Base-Backbone interact. energy: -1.321
local terms energy: -281.060512
where:
bonds (distance) C4'-P energy: -76.650
bonds (distance) P-C4' energy: -76.769
flat angles C4'-P-C4' energy: -67.699
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1692.316445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.316445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.316445 (E_RNA)
where:
Base-Base interactions energy: -1202.538
where: short stacking energy: -521.021
Base-Backbone interact. energy: -4.836
local terms energy: -484.942158
where:
bonds (distance) C4'-P energy: -79.921
bonds (distance) P-C4' energy: -85.984
flat angles C4'-P-C4' energy: -105.746
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -141.846
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1578.574968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.574968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.574968 (E_RNA)
where:
Base-Base interactions energy: -1069.655
where: short stacking energy: -490.144
Base-Backbone interact. energy: -0.850
local terms energy: -508.070320
where:
bonds (distance) C4'-P energy: -96.559
bonds (distance) P-C4' energy: -91.656
flat angles C4'-P-C4' energy: -99.474
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: -145.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1585.285130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.285130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.285130 (E_RNA)
where:
Base-Base interactions energy: -1087.124
where: short stacking energy: -497.096
Base-Backbone interact. energy: -2.100
local terms energy: -496.061680
where:
bonds (distance) C4'-P energy: -93.197
bonds (distance) P-C4' energy: -92.393
flat angles C4'-P-C4' energy: -98.665
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: -141.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1378.270938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.270938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.270938 (E_RNA)
where:
Base-Base interactions energy: -950.425
where: short stacking energy: -406.910
Base-Backbone interact. energy: -0.157
local terms energy: -427.689888
where:
bonds (distance) C4'-P energy: -87.753
bonds (distance) P-C4' energy: -77.311
flat angles C4'-P-C4' energy: -92.290
flat angles P-C4'-P energy: -63.809
tors. eta vs tors. theta energy: -106.526
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: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1378.229064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.229064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.229064 (E_RNA)
where:
Base-Base interactions energy: -951.211
where: short stacking energy: -413.303
Base-Backbone interact. energy: 2.697
local terms energy: -429.715115
where:
bonds (distance) C4'-P energy: -79.005
bonds (distance) P-C4' energy: -86.096
flat angles C4'-P-C4' energy: -99.694
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -105.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1258.871762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.871762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.871762 (E_RNA)
where:
Base-Base interactions energy: -850.453
where: short stacking energy: -395.185
Base-Backbone interact. energy: -0.155
local terms energy: -408.264251
where:
bonds (distance) C4'-P energy: -80.874
bonds (distance) P-C4' energy: -71.568
flat angles C4'-P-C4' energy: -84.949
flat angles P-C4'-P energy: -69.052
tors. eta vs tors. theta energy: -101.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1153.945690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.945690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.945690 (E_RNA)
where:
Base-Base interactions energy: -787.274
where: short stacking energy: -360.615
Base-Backbone interact. energy: 2.207
local terms energy: -368.879001
where:
bonds (distance) C4'-P energy: -72.362
bonds (distance) P-C4' energy: -73.205
flat angles C4'-P-C4' energy: -76.994
flat angles P-C4'-P energy: -50.530
tors. eta vs tors. theta energy: -95.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1072.439343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.439343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.439343 (E_RNA)
where:
Base-Base interactions energy: -715.716
where: short stacking energy: -313.261
Base-Backbone interact. energy: 1.999
local terms energy: -358.721433
where:
bonds (distance) C4'-P energy: -71.934
bonds (distance) P-C4' energy: -85.600
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -51.642
tors. eta vs tors. theta energy: -65.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -692.634472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.634472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.634472 (E_RNA)
where:
Base-Base interactions energy: -426.133
where: short stacking energy: -204.210
Base-Backbone interact. energy: 1.516
local terms energy: -268.018007
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -71.274
flat angles C4'-P-C4' energy: -72.819
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -23.084
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -654.876648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.876648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.876648 (E_RNA)
where:
Base-Base interactions energy: -374.957
where: short stacking energy: -198.187
Base-Backbone interact. energy: -3.371
local terms energy: -276.548385
where:
bonds (distance) C4'-P energy: -68.835
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -22.926
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: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1664.781795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.781795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.781795 (E_RNA)
where:
Base-Base interactions energy: -1141.233
where: short stacking energy: -516.922
Base-Backbone interact. energy: -2.063
local terms energy: -521.485256
where:
bonds (distance) C4'-P energy: -85.731
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -113.281
flat angles P-C4'-P energy: -77.883
tors. eta vs tors. theta energy: -143.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1600.827672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.827672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.827672 (E_RNA)
where:
Base-Base interactions energy: -1103.563
where: short stacking energy: -497.006
Base-Backbone interact. energy: -0.170
local terms energy: -497.094006
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -94.490
flat angles C4'-P-C4' energy: -105.647
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: -153.914
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1583.471652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.471652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.471652 (E_RNA)
where:
Base-Base interactions energy: -1088.943
where: short stacking energy: -492.051
Base-Backbone interact. energy: -1.303
local terms energy: -493.224921
where:
bonds (distance) C4'-P energy: -77.100
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -102.135
flat angles P-C4'-P energy: -75.486
tors. eta vs tors. theta energy: -143.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1376.466770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.466770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.466770 (E_RNA)
where:
Base-Base interactions energy: -956.621
where: short stacking energy: -390.938
Base-Backbone interact. energy: -2.829
local terms energy: -417.016818
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -85.329
flat angles C4'-P-C4' energy: -97.938
flat angles P-C4'-P energy: -47.993
tors. eta vs tors. theta energy: -101.110
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: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1350.720527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.720527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.720527 (E_RNA)
where:
Base-Base interactions energy: -920.295
where: short stacking energy: -417.740
Base-Backbone interact. energy: -1.463
local terms energy: -428.962166
where:
bonds (distance) C4'-P energy: -85.465
bonds (distance) P-C4' energy: -76.840
flat angles C4'-P-C4' energy: -87.378
flat angles P-C4'-P energy: -61.895
tors. eta vs tors. theta energy: -117.383
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: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1214.848413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.848413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.848413 (E_RNA)
where:
Base-Base interactions energy: -833.837
where: short stacking energy: -370.856
Base-Backbone interact. energy: 1.054
local terms energy: -382.065317
where:
bonds (distance) C4'-P energy: -67.470
bonds (distance) P-C4' energy: -72.458
flat angles C4'-P-C4' energy: -87.329
flat angles P-C4'-P energy: -57.805
tors. eta vs tors. theta energy: -97.003
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1152.622597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.622597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.622597 (E_RNA)
where:
Base-Base interactions energy: -756.716
where: short stacking energy: -348.607
Base-Backbone interact. energy: 0.083
local terms energy: -395.989648
where:
bonds (distance) C4'-P energy: -82.260
bonds (distance) P-C4' energy: -80.222
flat angles C4'-P-C4' energy: -86.616
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -87.039
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: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1044.863985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.863985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.863985 (E_RNA)
where:
Base-Base interactions energy: -705.313
where: short stacking energy: -306.600
Base-Backbone interact. energy: -1.103
local terms energy: -338.447879
where:
bonds (distance) C4'-P energy: -70.557
bonds (distance) P-C4' energy: -84.735
flat angles C4'-P-C4' energy: -81.184
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -65.048
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: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -705.908218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.908218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.908218 (E_RNA)
where:
Base-Base interactions energy: -413.678
where: short stacking energy: -197.761
Base-Backbone interact. energy: 1.730
local terms energy: -293.960823
where:
bonds (distance) C4'-P energy: -70.160
bonds (distance) P-C4' energy: -81.287
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: -28.959
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: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -698.153390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.153390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.153390 (E_RNA)
where:
Base-Base interactions energy: -394.080
where: short stacking energy: -193.746
Base-Backbone interact. energy: -0.029
local terms energy: -304.044230
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -83.088
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -26.856
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: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1663.308594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.308594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.308594 (E_RNA)
where:
Base-Base interactions energy: -1146.062
where: short stacking energy: -493.305
Base-Backbone interact. energy: -1.601
local terms energy: -515.645739
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -89.530
flat angles C4'-P-C4' energy: -113.062
flat angles P-C4'-P energy: -73.840
tors. eta vs tors. theta energy: -147.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1605.806260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.806260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.806260 (E_RNA)
where:
Base-Base interactions energy: -1102.967
where: short stacking energy: -507.249
Base-Backbone interact. energy: -2.420
local terms energy: -500.419574
where:
bonds (distance) C4'-P energy: -84.226
bonds (distance) P-C4' energy: -89.447
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -148.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1565.908457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.908457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.908457 (E_RNA)
where:
Base-Base interactions energy: -1071.123
where: short stacking energy: -483.693
Base-Backbone interact. energy: -0.919
local terms energy: -493.866802
where:
bonds (distance) C4'-P energy: -77.481
bonds (distance) P-C4' energy: -90.698
flat angles C4'-P-C4' energy: -105.691
flat angles P-C4'-P energy: -74.827
tors. eta vs tors. theta energy: -145.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1418.942279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.942279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.942279 (E_RNA)
where:
Base-Base interactions energy: -1000.316
where: short stacking energy: -410.496
Base-Backbone interact. energy: -2.378
local terms energy: -416.247740
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -94.542
flat angles P-C4'-P energy: -50.114
tors. eta vs tors. theta energy: -104.723
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: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1368.595968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.595968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.595968 (E_RNA)
where:
Base-Base interactions energy: -921.147
where: short stacking energy: -422.324
Base-Backbone interact. energy: -1.131
local terms energy: -446.318573
where:
bonds (distance) C4'-P energy: -83.169
bonds (distance) P-C4' energy: -84.170
flat angles C4'-P-C4' energy: -98.351
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -119.339
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: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1279.777186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.777186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.777186 (E_RNA)
where:
Base-Base interactions energy: -851.741
where: short stacking energy: -386.133
Base-Backbone interact. energy: 1.520
local terms energy: -429.556223
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -84.600
flat angles C4'-P-C4' energy: -99.595
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -99.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1200.321182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.321182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.321182 (E_RNA)
where:
Base-Base interactions energy: -799.933
where: short stacking energy: -342.508
Base-Backbone interact. energy: -1.692
local terms energy: -398.696325
where:
bonds (distance) C4'-P energy: -72.198
bonds (distance) P-C4' energy: -84.639
flat angles C4'-P-C4' energy: -92.935
flat angles P-C4'-P energy: -54.757
tors. eta vs tors. theta energy: -94.168
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: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1011.308423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.308423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.308423 (E_RNA)
where:
Base-Base interactions energy: -694.158
where: short stacking energy: -314.876
Base-Backbone interact. energy: -2.415
local terms energy: -314.735188
where:
bonds (distance) C4'-P energy: -74.948
bonds (distance) P-C4' energy: -72.406
flat angles C4'-P-C4' energy: -64.547
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -55.699
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: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -736.986313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.986313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.986313 (E_RNA)
where:
Base-Base interactions energy: -388.408
where: short stacking energy: -232.468
Base-Backbone interact. energy: -2.620
local terms energy: -345.958826
where:
bonds (distance) C4'-P energy: -77.769
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -87.562
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: -44.649
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: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -781.445393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.445393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.445393 (E_RNA)
where:
Base-Base interactions energy: -503.321
where: short stacking energy: -251.898
Base-Backbone interact. energy: 2.395
local terms energy: -280.519221
where:
bonds (distance) C4'-P energy: -63.593
bonds (distance) P-C4' energy: -68.607
flat angles C4'-P-C4' energy: -83.272
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1688.438106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.438106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.438106 (E_RNA)
where:
Base-Base interactions energy: -1165.411
where: short stacking energy: -507.452
Base-Backbone interact. energy: -2.417
local terms energy: -520.609413
where:
bonds (distance) C4'-P energy: -94.540
bonds (distance) P-C4' energy: -101.000
flat angles C4'-P-C4' energy: -104.498
flat angles P-C4'-P energy: -78.196
tors. eta vs tors. theta energy: -142.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1607.896395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.896395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.896395 (E_RNA)
where:
Base-Base interactions energy: -1097.221
where: short stacking energy: -487.066
Base-Backbone interact. energy: -0.034
local terms energy: -510.640991
where:
bonds (distance) C4'-P energy: -95.313
bonds (distance) P-C4' energy: -92.234
flat angles C4'-P-C4' energy: -101.576
flat angles P-C4'-P energy: -76.280
tors. eta vs tors. theta energy: -145.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1540.188366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.188366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.188366 (E_RNA)
where:
Base-Base interactions energy: -1056.140
where: short stacking energy: -480.631
Base-Backbone interact. energy: -1.662
local terms energy: -482.386512
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -102.719
flat angles P-C4'-P energy: -66.567
tors. eta vs tors. theta energy: -146.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1419.012557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.012557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.012557 (E_RNA)
where:
Base-Base interactions energy: -1005.348
where: short stacking energy: -411.589
Base-Backbone interact. energy: -0.228
local terms energy: -413.435914
where:
bonds (distance) C4'-P energy: -80.739
bonds (distance) P-C4' energy: -75.668
flat angles C4'-P-C4' energy: -90.932
flat angles P-C4'-P energy: -62.183
tors. eta vs tors. theta energy: -103.913
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1403.197152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.197152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.197152 (E_RNA)
where:
Base-Base interactions energy: -954.093
where: short stacking energy: -442.265
Base-Backbone interact. energy: -2.194
local terms energy: -446.909844
where:
bonds (distance) C4'-P energy: -71.619
bonds (distance) P-C4' energy: -87.749
flat angles C4'-P-C4' energy: -97.753
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -125.716
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: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1250.287615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.287615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.287615 (E_RNA)
where:
Base-Base interactions energy: -817.869
where: short stacking energy: -400.051
Base-Backbone interact. energy: -0.626
local terms energy: -431.792625
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -86.703
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -103.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1195.839955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.839955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.839955 (E_RNA)
where:
Base-Base interactions energy: -807.798
where: short stacking energy: -372.051
Base-Backbone interact. energy: -0.553
local terms energy: -387.488947
where:
bonds (distance) C4'-P energy: -76.481
bonds (distance) P-C4' energy: -74.269
flat angles C4'-P-C4' energy: -86.492
flat angles P-C4'-P energy: -57.069
tors. eta vs tors. theta energy: -93.179
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: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -973.115253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.115253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.115253 (E_RNA)
where:
Base-Base interactions energy: -621.374
where: short stacking energy: -292.667
Base-Backbone interact. energy: 0.618
local terms energy: -352.359048
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -80.986
flat angles C4'-P-C4' energy: -89.088
flat angles P-C4'-P energy: -57.643
tors. eta vs tors. theta energy: -45.857
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: 322
Temperature: 1.300000
Total energy: -738.598557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.598557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.598557 (E_RNA)
where:
Base-Base interactions energy: -445.380
where: short stacking energy: -213.308
Base-Backbone interact. energy: 1.763
local terms energy: -294.981533
where:
bonds (distance) C4'-P energy: -66.439
bonds (distance) P-C4' energy: -81.397
flat angles C4'-P-C4' energy: -76.140
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -663.325771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.325771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.325771 (E_RNA)
where:
Base-Base interactions energy: -372.129
where: short stacking energy: -181.312
Base-Backbone interact. energy: -1.215
local terms energy: -289.980994
where:
bonds (distance) C4'-P energy: -66.813
bonds (distance) P-C4' energy: -66.500
flat angles C4'-P-C4' energy: -70.645
flat angles P-C4'-P energy: -58.320
tors. eta vs tors. theta energy: -27.703
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1686.935089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.935089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.935089 (E_RNA)
where:
Base-Base interactions energy: -1159.226
where: short stacking energy: -507.003
Base-Backbone interact. energy: -2.352
local terms energy: -525.357285
where:
bonds (distance) C4'-P energy: -98.567
bonds (distance) P-C4' energy: -92.849
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -147.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1615.990280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.990280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.990280 (E_RNA)
where:
Base-Base interactions energy: -1125.369
where: short stacking energy: -503.829
Base-Backbone interact. energy: -0.116
local terms energy: -490.505249
where:
bonds (distance) C4'-P energy: -93.916
bonds (distance) P-C4' energy: -88.219
flat angles C4'-P-C4' energy: -91.472
flat angles P-C4'-P energy: -71.724
tors. eta vs tors. theta energy: -145.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1550.139267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.139267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.139267 (E_RNA)
where:
Base-Base interactions energy: -1061.371
where: short stacking energy: -460.091
Base-Backbone interact. energy: -1.436
local terms energy: -487.332465
where:
bonds (distance) C4'-P energy: -79.508
bonds (distance) P-C4' energy: -88.523
flat angles C4'-P-C4' energy: -105.325
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -143.884
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: 323
Temperature: 1.050000
Total energy: -1416.858773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.858773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.858773 (E_RNA)
where:
Base-Base interactions energy: -947.709
where: short stacking energy: -411.180
Base-Backbone interact. energy: -1.757
local terms energy: -467.392546
where:
bonds (distance) C4'-P energy: -84.135
bonds (distance) P-C4' energy: -96.382
flat angles C4'-P-C4' energy: -99.727
flat angles P-C4'-P energy: -64.467
tors. eta vs tors. theta energy: -122.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1398.805395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.805395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.805395 (E_RNA)
where:
Base-Base interactions energy: -962.255
where: short stacking energy: -376.543
Base-Backbone interact. energy: -1.297
local terms energy: -435.253707
where:
bonds (distance) C4'-P energy: -80.507
bonds (distance) P-C4' energy: -97.987
flat angles C4'-P-C4' energy: -97.143
flat angles P-C4'-P energy: -58.240
tors. eta vs tors. theta energy: -101.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1249.597637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.597637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.597637 (E_RNA)
where:
Base-Base interactions energy: -837.072
where: short stacking energy: -373.441
Base-Backbone interact. energy: -1.714
local terms energy: -410.812218
where:
bonds (distance) C4'-P energy: -81.915
bonds (distance) P-C4' energy: -76.763
flat angles C4'-P-C4' energy: -87.082
flat angles P-C4'-P energy: -65.277
tors. eta vs tors. theta energy: -99.775
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1206.209671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.209671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.209671 (E_RNA)
where:
Base-Base interactions energy: -821.295
where: short stacking energy: -375.927
Base-Backbone interact. energy: 0.073
local terms energy: -384.988094
where:
bonds (distance) C4'-P energy: -75.231
bonds (distance) P-C4' energy: -62.901
flat angles C4'-P-C4' energy: -85.806
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -105.275
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: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -969.223508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.223508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.223508 (E_RNA)
where:
Base-Base interactions energy: -636.176
where: short stacking energy: -304.080
Base-Backbone interact. energy: -1.943
local terms energy: -331.105108
where:
bonds (distance) C4'-P energy: -84.011
bonds (distance) P-C4' energy: -61.688
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -50.909
tors. eta vs tors. theta energy: -54.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -737.520030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.520030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.520030 (E_RNA)
where:
Base-Base interactions energy: -438.011
where: short stacking energy: -220.939
Base-Backbone interact. energy: -3.397
local terms energy: -296.112090
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -74.512
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -43.303
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: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -640.637145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.637145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.637145 (E_RNA)
where:
Base-Base interactions energy: -377.360
where: short stacking energy: -188.982
Base-Backbone interact. energy: 1.412
local terms energy: -264.688870
where:
bonds (distance) C4'-P energy: -70.495
bonds (distance) P-C4' energy: -74.989
flat angles C4'-P-C4' energy: -72.474
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1673.514385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.514385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.514385 (E_RNA)
where:
Base-Base interactions energy: -1169.613
where: short stacking energy: -520.491
Base-Backbone interact. energy: -3.203
local terms energy: -500.697692
where:
bonds (distance) C4'-P energy: -90.097
bonds (distance) P-C4' energy: -88.117
flat angles C4'-P-C4' energy: -106.923
flat angles P-C4'-P energy: -76.902
tors. eta vs tors. theta energy: -138.658
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: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1594.213707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.213707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.213707 (E_RNA)
where:
Base-Base interactions energy: -1089.514
where: short stacking energy: -480.178
Base-Backbone interact. energy: -1.233
local terms energy: -503.466360
where:
bonds (distance) C4'-P energy: -91.292
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -100.376
flat angles P-C4'-P energy: -71.201
tors. eta vs tors. theta energy: -142.638
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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1542.128792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.128792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.128792 (E_RNA)
where:
Base-Base interactions energy: -1065.869
where: short stacking energy: -474.289
Base-Backbone interact. energy: -1.928
local terms energy: -474.331932
where:
bonds (distance) C4'-P energy: -83.349
bonds (distance) P-C4' energy: -80.241
flat angles C4'-P-C4' energy: -95.911
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -139.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1409.174094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.174094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.174094 (E_RNA)
where:
Base-Base interactions energy: -979.175
where: short stacking energy: -425.659
Base-Backbone interact. energy: -1.998
local terms energy: -428.000795
where:
bonds (distance) C4'-P energy: -86.724
bonds (distance) P-C4' energy: -76.518
flat angles C4'-P-C4' energy: -96.398
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -122.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1388.841412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.841412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.841412 (E_RNA)
where:
Base-Base interactions energy: -985.681
where: short stacking energy: -397.954
Base-Backbone interact. energy: -0.904
local terms energy: -402.255885
where:
bonds (distance) C4'-P energy: -72.125
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -79.489
flat angles P-C4'-P energy: -56.276
tors. eta vs tors. theta energy: -107.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1314.533766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.533766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.533766 (E_RNA)
where:
Base-Base interactions energy: -904.134
where: short stacking energy: -383.180
Base-Backbone interact. energy: -2.106
local terms energy: -408.293596
where:
bonds (distance) C4'-P energy: -65.973
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -89.010
flat angles P-C4'-P energy: -58.984
tors. eta vs tors. theta energy: -106.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1162.592219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.592219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.592219 (E_RNA)
where:
Base-Base interactions energy: -787.758
where: short stacking energy: -344.533
Base-Backbone interact. energy: -0.105
local terms energy: -374.728669
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -64.179
tors. eta vs tors. theta energy: -77.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -994.296828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.296828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.296828 (E_RNA)
where:
Base-Base interactions energy: -622.493
where: short stacking energy: -281.589
Base-Backbone interact. energy: -1.637
local terms energy: -370.166589
where:
bonds (distance) C4'-P energy: -87.638
bonds (distance) P-C4' energy: -82.796
flat angles C4'-P-C4' energy: -85.114
flat angles P-C4'-P energy: -48.525
tors. eta vs tors. theta energy: -66.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -795.063999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.063999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.063999 (E_RNA)
where:
Base-Base interactions energy: -490.789
where: short stacking energy: -232.329
Base-Backbone interact. energy: -0.213
local terms energy: -304.062769
where:
bonds (distance) C4'-P energy: -63.984
bonds (distance) P-C4' energy: -72.960
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -638.035924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.035924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.035924 (E_RNA)
where:
Base-Base interactions energy: -375.591
where: short stacking energy: -214.518
Base-Backbone interact. energy: -3.285
local terms energy: -259.159729
where:
bonds (distance) C4'-P energy: -57.510
bonds (distance) P-C4' energy: -73.059
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: -35.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1672.841013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.841013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.841013 (E_RNA)
where:
Base-Base interactions energy: -1159.577
where: short stacking energy: -518.902
Base-Backbone interact. energy: -0.248
local terms energy: -513.016508
where:
bonds (distance) C4'-P energy: -99.102
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -102.363
flat angles P-C4'-P energy: -75.584
tors. eta vs tors. theta energy: -143.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1622.938835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.938835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.938835 (E_RNA)
where:
Base-Base interactions energy: -1124.098
where: short stacking energy: -505.586
Base-Backbone interact. energy: -2.749
local terms energy: -496.091000
where:
bonds (distance) C4'-P energy: -95.279
bonds (distance) P-C4' energy: -80.293
flat angles C4'-P-C4' energy: -109.385
flat angles P-C4'-P energy: -68.083
tors. eta vs tors. theta energy: -143.052
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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1554.468739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.468739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.468739 (E_RNA)
where:
Base-Base interactions energy: -1082.130
where: short stacking energy: -471.416
Base-Backbone interact. energy: -1.517
local terms energy: -470.821796
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -81.350
flat angles C4'-P-C4' energy: -97.741
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -144.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1443.729493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.729493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.729493 (E_RNA)
where:
Base-Base interactions energy: -976.247
where: short stacking energy: -438.087
Base-Backbone interact. energy: 0.087
local terms energy: -467.569541
where:
bonds (distance) C4'-P energy: -88.255
bonds (distance) P-C4' energy: -83.887
flat angles C4'-P-C4' energy: -102.874
flat angles P-C4'-P energy: -62.607
tors. eta vs tors. theta energy: -129.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1403.857453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.857453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.857453 (E_RNA)
where:
Base-Base interactions energy: -990.254
where: short stacking energy: -392.447
Base-Backbone interact. energy: -0.544
local terms energy: -413.059979
where:
bonds (distance) C4'-P energy: -78.459
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -90.391
flat angles P-C4'-P energy: -57.895
tors. eta vs tors. theta energy: -102.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1286.706870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.706870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.706870 (E_RNA)
where:
Base-Base interactions energy: -884.723
where: short stacking energy: -402.602
Base-Backbone interact. energy: 0.061
local terms energy: -402.045080
where:
bonds (distance) C4'-P energy: -74.027
bonds (distance) P-C4' energy: -82.458
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -96.412
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1187.379329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.379329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.379329 (E_RNA)
where:
Base-Base interactions energy: -795.489
where: short stacking energy: -354.782
Base-Backbone interact. energy: -1.598
local terms energy: -390.292383
where:
bonds (distance) C4'-P energy: -81.765
bonds (distance) P-C4' energy: -61.817
flat angles C4'-P-C4' energy: -80.700
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -100.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -994.807932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.807932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.807932 (E_RNA)
where:
Base-Base interactions energy: -667.706
where: short stacking energy: -297.940
Base-Backbone interact. energy: 7.152
local terms energy: -334.253747
where:
bonds (distance) C4'-P energy: -70.844
bonds (distance) P-C4' energy: -70.659
flat angles C4'-P-C4' energy: -77.492
flat angles P-C4'-P energy: -53.609
tors. eta vs tors. theta energy: -61.650
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: 325
Temperature: 1.300000
Total energy: -766.885189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.885189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.885189 (E_RNA)
where:
Base-Base interactions energy: -470.543
where: short stacking energy: -227.500
Base-Backbone interact. energy: 3.383
local terms energy: -299.726034
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -84.558
flat angles C4'-P-C4' energy: -71.299
flat angles P-C4'-P energy: -54.971
tors. eta vs tors. theta energy: -20.765
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: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -608.507481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.507481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.507481 (E_RNA)
where:
Base-Base interactions energy: -351.079
where: short stacking energy: -182.378
Base-Backbone interact. energy: -1.224
local terms energy: -256.204585
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -43.340
tors. eta vs tors. theta energy: -5.973
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: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1690.064453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.064453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.064453 (E_RNA)
where:
Base-Base interactions energy: -1168.047
where: short stacking energy: -510.052
Base-Backbone interact. energy: -0.323
local terms energy: -521.694085
where:
bonds (distance) C4'-P energy: -94.211
bonds (distance) P-C4' energy: -104.896
flat angles C4'-P-C4' energy: -107.620
flat angles P-C4'-P energy: -72.735
tors. eta vs tors. theta energy: -142.233
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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1589.826995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.826995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.826995 (E_RNA)
where:
Base-Base interactions energy: -1086.590
where: short stacking energy: -472.896
Base-Backbone interact. energy: -3.144
local terms energy: -500.093232
where:
bonds (distance) C4'-P energy: -88.807
bonds (distance) P-C4' energy: -93.084
flat angles C4'-P-C4' energy: -108.451
flat angles P-C4'-P energy: -71.482
tors. eta vs tors. theta energy: -138.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1581.778294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.778294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.778294 (E_RNA)
where:
Base-Base interactions energy: -1098.903
where: short stacking energy: -489.989
Base-Backbone interact. energy: 1.847
local terms energy: -484.722831
where:
bonds (distance) C4'-P energy: -81.265
bonds (distance) P-C4' energy: -92.810
flat angles C4'-P-C4' energy: -107.734
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -142.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1411.655299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.655299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.655299 (E_RNA)
where:
Base-Base interactions energy: -950.386
where: short stacking energy: -418.585
Base-Backbone interact. energy: -3.328
local terms energy: -457.941721
where:
bonds (distance) C4'-P energy: -75.830
bonds (distance) P-C4' energy: -97.227
flat angles C4'-P-C4' energy: -87.522
flat angles P-C4'-P energy: -67.987
tors. eta vs tors. theta energy: -129.377
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1408.027604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.027604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.027604 (E_RNA)
where:
Base-Base interactions energy: -1005.202
where: short stacking energy: -395.531
Base-Backbone interact. energy: -2.002
local terms energy: -400.824354
where:
bonds (distance) C4'-P energy: -83.551
bonds (distance) P-C4' energy: -82.840
flat angles C4'-P-C4' energy: -86.449
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -97.485
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: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1279.921609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.921609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.921609 (E_RNA)
where:
Base-Base interactions energy: -871.921
where: short stacking energy: -388.517
Base-Backbone interact. energy: 0.376
local terms energy: -408.376352
where:
bonds (distance) C4'-P energy: -76.280
bonds (distance) P-C4' energy: -68.546
flat angles C4'-P-C4' energy: -95.908
flat angles P-C4'-P energy: -62.701
tors. eta vs tors. theta energy: -104.941
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1222.891132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.891132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.891132 (E_RNA)
where:
Base-Base interactions energy: -811.117
where: short stacking energy: -379.750
Base-Backbone interact. energy: -0.342
local terms energy: -411.432216
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -83.562
flat angles C4'-P-C4' energy: -91.927
flat angles P-C4'-P energy: -54.366
tors. eta vs tors. theta energy: -103.733
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: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -974.835087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.835087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.835087 (E_RNA)
where:
Base-Base interactions energy: -654.830
where: short stacking energy: -269.531
Base-Backbone interact. energy: -0.312
local terms energy: -319.693329
where:
bonds (distance) C4'-P energy: -62.138
bonds (distance) P-C4' energy: -92.168
flat angles C4'-P-C4' energy: -82.152
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -51.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -843.915109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.915109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.915109 (E_RNA)
where:
Base-Base interactions energy: -523.831
where: short stacking energy: -243.741
Base-Backbone interact. energy: 2.354
local terms energy: -322.438463
where:
bonds (distance) C4'-P energy: -54.757
bonds (distance) P-C4' energy: -80.233
flat angles C4'-P-C4' energy: -83.623
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -48.789
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: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -593.827067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.827067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.827067 (E_RNA)
where:
Base-Base interactions energy: -341.605
where: short stacking energy: -164.876
Base-Backbone interact. energy: 2.626
local terms energy: -254.848017
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -78.780
flat angles C4'-P-C4' energy: -66.638
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: 4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1682.157420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.157420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.157420 (E_RNA)
where:
Base-Base interactions energy: -1172.867
where: short stacking energy: -521.768
Base-Backbone interact. energy: -2.612
local terms energy: -506.678992
where:
bonds (distance) C4'-P energy: -96.163
bonds (distance) P-C4' energy: -86.971
flat angles C4'-P-C4' energy: -104.180
flat angles P-C4'-P energy: -79.307
tors. eta vs tors. theta energy: -140.058
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: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1600.632919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.632919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.632919 (E_RNA)
where:
Base-Base interactions energy: -1101.135
where: short stacking energy: -504.017
Base-Backbone interact. energy: -3.648
local terms energy: -495.850224
where:
bonds (distance) C4'-P energy: -86.407
bonds (distance) P-C4' energy: -90.919
flat angles C4'-P-C4' energy: -105.600
flat angles P-C4'-P energy: -61.902
tors. eta vs tors. theta energy: -151.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1556.588867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.588867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.588867 (E_RNA)
where:
Base-Base interactions energy: -1074.562
where: short stacking energy: -480.103
Base-Backbone interact. energy: 1.746
local terms energy: -483.772211
where:
bonds (distance) C4'-P energy: -80.817
bonds (distance) P-C4' energy: -92.869
flat angles C4'-P-C4' energy: -96.662
flat angles P-C4'-P energy: -66.627
tors. eta vs tors. theta energy: -146.797
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: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1419.253423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.253423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.253423 (E_RNA)
where:
Base-Base interactions energy: -994.095
where: short stacking energy: -393.215
Base-Backbone interact. energy: -3.599
local terms energy: -421.559259
where:
bonds (distance) C4'-P energy: -73.295
bonds (distance) P-C4' energy: -81.572
flat angles C4'-P-C4' energy: -89.639
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -111.806
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1378.896335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.896335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.896335 (E_RNA)
where:
Base-Base interactions energy: -949.698
where: short stacking energy: -414.867
Base-Backbone interact. energy: -2.431
local terms energy: -426.767354
where:
bonds (distance) C4'-P energy: -75.284
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -89.682
flat angles P-C4'-P energy: -61.536
tors. eta vs tors. theta energy: -111.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1325.412092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.412092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.412092 (E_RNA)
where:
Base-Base interactions energy: -896.467
where: short stacking energy: -416.473
Base-Backbone interact. energy: -1.145
local terms energy: -427.799840
where:
bonds (distance) C4'-P energy: -82.543
bonds (distance) P-C4' energy: -77.687
flat angles C4'-P-C4' energy: -93.413
flat angles P-C4'-P energy: -63.736
tors. eta vs tors. theta energy: -110.421
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: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1244.990400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.990400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.990400 (E_RNA)
where:
Base-Base interactions energy: -848.504
where: short stacking energy: -373.266
Base-Backbone interact. energy: -0.397
local terms energy: -396.089539
where:
bonds (distance) C4'-P energy: -78.832
bonds (distance) P-C4' energy: -83.472
flat angles C4'-P-C4' energy: -91.043
flat angles P-C4'-P energy: -53.214
tors. eta vs tors. theta energy: -89.529
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: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -981.135567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.135567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.135567 (E_RNA)
where:
Base-Base interactions energy: -685.839
where: short stacking energy: -295.058
Base-Backbone interact. energy: 6.015
local terms energy: -301.311872
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -85.183
flat angles P-C4'-P energy: -48.812
tors. eta vs tors. theta energy: -53.153
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: 327
Temperature: 1.300000
Total energy: -837.610830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.610830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.610830 (E_RNA)
where:
Base-Base interactions energy: -506.457
where: short stacking energy: -233.979
Base-Backbone interact. energy: 0.954
local terms energy: -332.108272
where:
bonds (distance) C4'-P energy: -82.736
bonds (distance) P-C4' energy: -77.497
flat angles C4'-P-C4' energy: -68.065
flat angles P-C4'-P energy: -49.772
tors. eta vs tors. theta energy: -54.038
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -609.344889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.344889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.344889 (E_RNA)
where:
Base-Base interactions energy: -318.976
where: short stacking energy: -157.627
Base-Backbone interact. energy: -4.091
local terms energy: -286.277829
where:
bonds (distance) C4'-P energy: -68.718
bonds (distance) P-C4' energy: -79.734
flat angles C4'-P-C4' energy: -68.781
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1661.542352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.542352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.542352 (E_RNA)
where:
Base-Base interactions energy: -1163.311
where: short stacking energy: -508.512
Base-Backbone interact. energy: -2.041
local terms energy: -496.190110
where:
bonds (distance) C4'-P energy: -92.655
bonds (distance) P-C4' energy: -86.763
flat angles C4'-P-C4' energy: -97.013
flat angles P-C4'-P energy: -78.234
tors. eta vs tors. theta energy: -141.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1585.681030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.681030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.681030 (E_RNA)
where:
Base-Base interactions energy: -1086.464
where: short stacking energy: -505.513
Base-Backbone interact. energy: -4.601
local terms energy: -494.615548
where:
bonds (distance) C4'-P energy: -88.763
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -74.829
tors. eta vs tors. theta energy: -148.036
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: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1522.158956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.158956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.158956 (E_RNA)
where:
Base-Base interactions energy: -1036.476
where: short stacking energy: -451.228
Base-Backbone interact. energy: 1.452
local terms energy: -487.135317
where:
bonds (distance) C4'-P energy: -74.487
bonds (distance) P-C4' energy: -99.862
flat angles C4'-P-C4' energy: -100.476
flat angles P-C4'-P energy: -68.540
tors. eta vs tors. theta energy: -143.770
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: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1456.176655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.176655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.176655 (E_RNA)
where:
Base-Base interactions energy: -1019.200
where: short stacking energy: -424.065
Base-Backbone interact. energy: 0.789
local terms energy: -437.765923
where:
bonds (distance) C4'-P energy: -82.617
bonds (distance) P-C4' energy: -82.570
flat angles C4'-P-C4' energy: -100.244
flat angles P-C4'-P energy: -65.421
tors. eta vs tors. theta energy: -106.913
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1383.942748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.942748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.942748 (E_RNA)
where:
Base-Base interactions energy: -933.742
where: short stacking energy: -401.871
Base-Backbone interact. energy: -3.037
local terms energy: -447.164129
where:
bonds (distance) C4'-P energy: -82.304
bonds (distance) P-C4' energy: -87.896
flat angles C4'-P-C4' energy: -95.515
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -109.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1326.194590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.194590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.194590 (E_RNA)
where:
Base-Base interactions energy: -891.422
where: short stacking energy: -407.982
Base-Backbone interact. energy: -0.694
local terms energy: -434.078939
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -91.982
flat angles C4'-P-C4' energy: -91.722
flat angles P-C4'-P energy: -73.377
tors. eta vs tors. theta energy: -107.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1215.339002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.339002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.339002 (E_RNA)
where:
Base-Base interactions energy: -830.158
where: short stacking energy: -355.415
Base-Backbone interact. energy: 1.989
local terms energy: -387.169585
where:
bonds (distance) C4'-P energy: -77.967
bonds (distance) P-C4' energy: -73.588
flat angles C4'-P-C4' energy: -84.521
flat angles P-C4'-P energy: -63.764
tors. eta vs tors. theta energy: -87.329
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: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -992.084676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.084676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.084676 (E_RNA)
where:
Base-Base interactions energy: -658.842
where: short stacking energy: -272.741
Base-Backbone interact. energy: 3.730
local terms energy: -336.972547
where:
bonds (distance) C4'-P energy: -74.363
bonds (distance) P-C4' energy: -83.491
flat angles C4'-P-C4' energy: -84.340
flat angles P-C4'-P energy: -47.979
tors. eta vs tors. theta energy: -46.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -820.382038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.382038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.382038 (E_RNA)
where:
Base-Base interactions energy: -522.285
where: short stacking energy: -243.699
Base-Backbone interact. energy: 0.284
local terms energy: -298.380685
where:
bonds (distance) C4'-P energy: -88.236
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -589.914396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.914396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.914396 (E_RNA)
where:
Base-Base interactions energy: -326.963
where: short stacking energy: -160.797
Base-Backbone interact. energy: -1.027
local terms energy: -261.924022
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -76.611
flat angles C4'-P-C4' energy: -70.451
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -15.399
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: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1692.073146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.073146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.073146 (E_RNA)
where:
Base-Base interactions energy: -1171.693
where: short stacking energy: -524.273
Base-Backbone interact. energy: -2.326
local terms energy: -518.054973
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -99.075
flat angles C4'-P-C4' energy: -104.024
flat angles P-C4'-P energy: -78.632
tors. eta vs tors. theta energy: -139.341
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1567.035180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.035180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.035180 (E_RNA)
where:
Base-Base interactions energy: -1080.259
where: short stacking energy: -467.787
Base-Backbone interact. energy: -1.525
local terms energy: -485.250856
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -93.280
flat angles C4'-P-C4' energy: -101.232
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: -137.168
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1526.010597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.010597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.010597 (E_RNA)
where:
Base-Base interactions energy: -1071.851
where: short stacking energy: -493.817
Base-Backbone interact. energy: -1.198
local terms energy: -452.961474
where:
bonds (distance) C4'-P energy: -76.670
bonds (distance) P-C4' energy: -70.306
flat angles C4'-P-C4' energy: -98.923
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -138.777
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: 329
Temperature: 1.050000
Total energy: -1452.512287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.512287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.512287 (E_RNA)
where:
Base-Base interactions energy: -1036.387
where: short stacking energy: -412.797
Base-Backbone interact. energy: 0.207
local terms energy: -416.332204
where:
bonds (distance) C4'-P energy: -71.407
bonds (distance) P-C4' energy: -83.891
flat angles C4'-P-C4' energy: -93.866
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -109.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1374.309701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.309701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.309701 (E_RNA)
where:
Base-Base interactions energy: -932.737
where: short stacking energy: -398.317
Base-Backbone interact. energy: -1.901
local terms energy: -439.671269
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -84.061
flat angles C4'-P-C4' energy: -93.103
flat angles P-C4'-P energy: -58.460
tors. eta vs tors. theta energy: -116.458
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1286.861948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.861948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.861948 (E_RNA)
where:
Base-Base interactions energy: -866.524
where: short stacking energy: -388.666
Base-Backbone interact. energy: -3.216
local terms energy: -417.121949
where:
bonds (distance) C4'-P energy: -74.077
bonds (distance) P-C4' energy: -75.480
flat angles C4'-P-C4' energy: -98.526
flat angles P-C4'-P energy: -52.973
tors. eta vs tors. theta energy: -116.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1283.426393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.426393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.426393 (E_RNA)
where:
Base-Base interactions energy: -883.577
where: short stacking energy: -365.923
Base-Backbone interact. energy: -1.622
local terms energy: -398.227642
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -73.973
flat angles C4'-P-C4' energy: -89.769
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: -101.974
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: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -995.666640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.666640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.666640 (E_RNA)
where:
Base-Base interactions energy: -648.021
where: short stacking energy: -284.361
Base-Backbone interact. energy: -0.801
local terms energy: -346.844941
where:
bonds (distance) C4'-P energy: -73.503
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -45.045
tors. eta vs tors. theta energy: -54.986
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: 329
Temperature: 1.300000
Total energy: -821.168087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.168087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.168087 (E_RNA)
where:
Base-Base interactions energy: -507.992
where: short stacking energy: -241.469
Base-Backbone interact. energy: -0.520
local terms energy: -312.656547
where:
bonds (distance) C4'-P energy: -71.901
bonds (distance) P-C4' energy: -75.082
flat angles C4'-P-C4' energy: -81.041
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -41.286
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: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -619.196259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.196259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.196259 (E_RNA)
where:
Base-Base interactions energy: -352.160
where: short stacking energy: -171.213
Base-Backbone interact. energy: 3.825
local terms energy: -270.860708
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -79.469
flat angles C4'-P-C4' energy: -70.886
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1686.192572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.192572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.192572 (E_RNA)
where:
Base-Base interactions energy: -1189.004
where: short stacking energy: -534.240
Base-Backbone interact. energy: -0.101
local terms energy: -497.087238
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -102.855
flat angles P-C4'-P energy: -84.663
tors. eta vs tors. theta energy: -143.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1550.607990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.607990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.607990 (E_RNA)
where:
Base-Base interactions energy: -1064.787
where: short stacking energy: -474.459
Base-Backbone interact. energy: -1.303
local terms energy: -484.517869
where:
bonds (distance) C4'-P energy: -84.032
bonds (distance) P-C4' energy: -94.787
flat angles C4'-P-C4' energy: -103.080
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -135.847
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1559.279724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.279724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.279724 (E_RNA)
where:
Base-Base interactions energy: -1080.181
where: short stacking energy: -481.741
Base-Backbone interact. energy: -3.707
local terms energy: -475.392223
where:
bonds (distance) C4'-P energy: -85.686
bonds (distance) P-C4' energy: -90.893
flat angles C4'-P-C4' energy: -90.667
flat angles P-C4'-P energy: -63.800
tors. eta vs tors. theta energy: -144.347
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1452.910081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.910081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.910081 (E_RNA)
where:
Base-Base interactions energy: -1050.758
where: short stacking energy: -441.499
Base-Backbone interact. energy: 5.491
local terms energy: -407.643503
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -74.206
flat angles C4'-P-C4' energy: -86.025
flat angles P-C4'-P energy: -50.858
tors. eta vs tors. theta energy: -114.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1372.737386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.737386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.737386 (E_RNA)
where:
Base-Base interactions energy: -939.828
where: short stacking energy: -423.868
Base-Backbone interact. energy: -0.618
local terms energy: -432.291136
where:
bonds (distance) C4'-P energy: -70.479
bonds (distance) P-C4' energy: -88.097
flat angles C4'-P-C4' energy: -96.927
flat angles P-C4'-P energy: -65.777
tors. eta vs tors. theta energy: -111.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1336.651563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.651563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.651563 (E_RNA)
where:
Base-Base interactions energy: -903.243
where: short stacking energy: -387.091
Base-Backbone interact. energy: -1.435
local terms energy: -431.973287
where:
bonds (distance) C4'-P energy: -86.676
bonds (distance) P-C4' energy: -92.164
flat angles C4'-P-C4' energy: -92.724
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -104.618
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1270.490444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.490444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.490444 (E_RNA)
where:
Base-Base interactions energy: -860.465
where: short stacking energy: -373.156
Base-Backbone interact. energy: -1.494
local terms energy: -408.531999
where:
bonds (distance) C4'-P energy: -75.637
bonds (distance) P-C4' energy: -80.107
flat angles C4'-P-C4' energy: -93.950
flat angles P-C4'-P energy: -59.156
tors. eta vs tors. theta energy: -99.681
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: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -985.708809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.708809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.708809 (E_RNA)
where:
Base-Base interactions energy: -678.015
where: short stacking energy: -287.521
Base-Backbone interact. energy: 3.795
local terms energy: -311.488494
where:
bonds (distance) C4'-P energy: -78.815
bonds (distance) P-C4' energy: -67.321
flat angles C4'-P-C4' energy: -77.227
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -52.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -811.845298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.845298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.845298 (E_RNA)
where:
Base-Base interactions energy: -496.816
where: short stacking energy: -233.444
Base-Backbone interact. energy: -2.789
local terms energy: -312.240072
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -74.840
flat angles C4'-P-C4' energy: -88.350
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -39.881
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: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -577.212647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.212647 (E_RNA)
where:
Base-Base interactions energy: -307.869
where: short stacking energy: -167.259
Base-Backbone interact. energy: 1.159
local terms energy: -270.502476
where:
bonds (distance) C4'-P energy: -60.330
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -79.003
flat angles P-C4'-P energy: -48.731
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1699.729953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.729953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.729953 (E_RNA)
where:
Base-Base interactions energy: -1183.732
where: short stacking energy: -547.582
Base-Backbone interact. energy: -3.646
local terms energy: -512.351926
where:
bonds (distance) C4'-P energy: -93.697
bonds (distance) P-C4' energy: -93.685
flat angles C4'-P-C4' energy: -100.736
flat angles P-C4'-P energy: -74.264
tors. eta vs tors. theta energy: -149.969
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: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1569.183419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.183419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.183419 (E_RNA)
where:
Base-Base interactions energy: -1079.756
where: short stacking energy: -468.730
Base-Backbone interact. energy: -0.563
local terms energy: -488.865223
where:
bonds (distance) C4'-P energy: -78.196
bonds (distance) P-C4' energy: -89.871
flat angles C4'-P-C4' energy: -106.470
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: -141.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1526.026853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.026853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.026853 (E_RNA)
where:
Base-Base interactions energy: -1018.838
where: short stacking energy: -457.166
Base-Backbone interact. energy: -2.117
local terms energy: -505.071579
where:
bonds (distance) C4'-P energy: -97.078
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -100.318
flat angles P-C4'-P energy: -66.553
tors. eta vs tors. theta energy: -149.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1444.126786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.126786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.126786 (E_RNA)
where:
Base-Base interactions energy: -1008.813
where: short stacking energy: -396.134
Base-Backbone interact. energy: 2.490
local terms energy: -437.803670
where:
bonds (distance) C4'-P energy: -83.522
bonds (distance) P-C4' energy: -92.549
flat angles C4'-P-C4' energy: -86.333
flat angles P-C4'-P energy: -62.681
tors. eta vs tors. theta energy: -112.719
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1372.495064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.495064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.495064 (E_RNA)
where:
Base-Base interactions energy: -958.968
where: short stacking energy: -401.061
Base-Backbone interact. energy: -1.352
local terms energy: -412.175253
where:
bonds (distance) C4'-P energy: -68.926
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -91.485
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -108.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1294.349315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.349315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.349315 (E_RNA)
where:
Base-Base interactions energy: -892.479
where: short stacking energy: -390.610
Base-Backbone interact. energy: -0.085
local terms energy: -401.785599
where:
bonds (distance) C4'-P energy: -82.966
bonds (distance) P-C4' energy: -78.858
flat angles C4'-P-C4' energy: -84.293
flat angles P-C4'-P energy: -62.056
tors. eta vs tors. theta energy: -93.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1250.035901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.035901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.035901 (E_RNA)
where:
Base-Base interactions energy: -840.307
where: short stacking energy: -378.262
Base-Backbone interact. energy: -0.419
local terms energy: -409.309931
where:
bonds (distance) C4'-P energy: -76.026
bonds (distance) P-C4' energy: -79.379
flat angles C4'-P-C4' energy: -95.301
flat angles P-C4'-P energy: -52.837
tors. eta vs tors. theta energy: -105.767
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: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -955.186737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.186737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.186737 (E_RNA)
where:
Base-Base interactions energy: -620.470
where: short stacking energy: -278.695
Base-Backbone interact. energy: -2.884
local terms energy: -331.832193
where:
bonds (distance) C4'-P energy: -73.814
bonds (distance) P-C4' energy: -78.321
flat angles C4'-P-C4' energy: -83.989
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -41.981
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -804.199613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.199613 (E_RNA)
where:
Base-Base interactions energy: -517.648
where: short stacking energy: -255.168
Base-Backbone interact. energy: -1.467
local terms energy: -285.085456
where:
bonds (distance) C4'-P energy: -62.549
bonds (distance) P-C4' energy: -76.321
flat angles C4'-P-C4' energy: -85.957
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -38.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -580.086885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.086885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.086885 (E_RNA)
where:
Base-Base interactions energy: -327.552
where: short stacking energy: -181.579
Base-Backbone interact. energy: 3.437
local terms energy: -255.971803
where:
bonds (distance) C4'-P energy: -71.119
bonds (distance) P-C4' energy: -86.069
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1665.568300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.568300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.568300 (E_RNA)
where:
Base-Base interactions energy: -1152.596
where: short stacking energy: -532.784
Base-Backbone interact. energy: -3.888
local terms energy: -509.084325
where:
bonds (distance) C4'-P energy: -82.823
bonds (distance) P-C4' energy: -89.736
flat angles C4'-P-C4' energy: -112.470
flat angles P-C4'-P energy: -79.764
tors. eta vs tors. theta energy: -144.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1573.041940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.041940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.041940 (E_RNA)
where:
Base-Base interactions energy: -1082.423
where: short stacking energy: -482.839
Base-Backbone interact. energy: -4.485
local terms energy: -486.134446
where:
bonds (distance) C4'-P energy: -103.515
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -101.101
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -131.360
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1507.498239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.498239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.498239 (E_RNA)
where:
Base-Base interactions energy: -1038.665
where: short stacking energy: -481.883
Base-Backbone interact. energy: -1.362
local terms energy: -467.470877
where:
bonds (distance) C4'-P energy: -88.533
bonds (distance) P-C4' energy: -78.055
flat angles C4'-P-C4' energy: -92.260
flat angles P-C4'-P energy: -69.233
tors. eta vs tors. theta energy: -139.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1467.412459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.412459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.412459 (E_RNA)
where:
Base-Base interactions energy: -1025.360
where: short stacking energy: -409.614
Base-Backbone interact. energy: -3.574
local terms energy: -438.478561
where:
bonds (distance) C4'-P energy: -87.111
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -87.110
flat angles P-C4'-P energy: -71.117
tors. eta vs tors. theta energy: -101.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1403.295997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.295997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.295997 (E_RNA)
where:
Base-Base interactions energy: -966.575
where: short stacking energy: -429.866
Base-Backbone interact. energy: 0.307
local terms energy: -437.028723
where:
bonds (distance) C4'-P energy: -75.551
bonds (distance) P-C4' energy: -88.116
flat angles C4'-P-C4' energy: -89.827
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -118.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1328.749405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.749405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.749405 (E_RNA)
where:
Base-Base interactions energy: -941.650
where: short stacking energy: -407.064
Base-Backbone interact. energy: -2.048
local terms energy: -385.051327
where:
bonds (distance) C4'-P energy: -83.617
bonds (distance) P-C4' energy: -62.375
flat angles C4'-P-C4' energy: -83.712
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -99.045
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: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1219.459971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.459971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.459971 (E_RNA)
where:
Base-Base interactions energy: -811.756
where: short stacking energy: -375.825
Base-Backbone interact. energy: -0.892
local terms energy: -406.812184
where:
bonds (distance) C4'-P energy: -77.927
bonds (distance) P-C4' energy: -85.692
flat angles C4'-P-C4' energy: -94.365
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -90.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -950.322551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.322551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.322551 (E_RNA)
where:
Base-Base interactions energy: -626.920
where: short stacking energy: -270.196
Base-Backbone interact. energy: -4.009
local terms energy: -319.393672
where:
bonds (distance) C4'-P energy: -66.457
bonds (distance) P-C4' energy: -76.473
flat angles C4'-P-C4' energy: -88.438
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -45.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -844.960433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.960433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.960433 (E_RNA)
where:
Base-Base interactions energy: -545.359
where: short stacking energy: -253.855
Base-Backbone interact. energy: -1.077
local terms energy: -298.524943
where:
bonds (distance) C4'-P energy: -52.272
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -77.157
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -55.767
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: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -642.480857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.480857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.480857 (E_RNA)
where:
Base-Base interactions energy: -356.843
where: short stacking energy: -200.659
Base-Backbone interact. energy: 0.852
local terms energy: -286.490494
where:
bonds (distance) C4'-P energy: -78.282
bonds (distance) P-C4' energy: -69.164
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -27.344
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: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1673.098118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.098118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.098118 (E_RNA)
where:
Base-Base interactions energy: -1151.908
where: short stacking energy: -526.377
Base-Backbone interact. energy: -0.762
local terms energy: -520.428314
where:
bonds (distance) C4'-P energy: -85.865
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -107.608
flat angles P-C4'-P energy: -78.505
tors. eta vs tors. theta energy: -155.304
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: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1604.287583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.287583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.287583 (E_RNA)
where:
Base-Base interactions energy: -1081.533
where: short stacking energy: -486.008
Base-Backbone interact. energy: -5.110
local terms energy: -517.644910
where:
bonds (distance) C4'-P energy: -90.496
bonds (distance) P-C4' energy: -95.701
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -80.170
tors. eta vs tors. theta energy: -151.080
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1521.569889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.569889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.569889 (E_RNA)
where:
Base-Base interactions energy: -1048.372
where: short stacking energy: -474.677
Base-Backbone interact. energy: -1.706
local terms energy: -471.492057
where:
bonds (distance) C4'-P energy: -77.865
bonds (distance) P-C4' energy: -78.789
flat angles C4'-P-C4' energy: -103.988
flat angles P-C4'-P energy: -66.414
tors. eta vs tors. theta energy: -144.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1453.211851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.211851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.211851 (E_RNA)
where:
Base-Base interactions energy: -999.475
where: short stacking energy: -430.316
Base-Backbone interact. energy: -1.631
local terms energy: -452.106134
where:
bonds (distance) C4'-P energy: -91.129
bonds (distance) P-C4' energy: -78.021
flat angles C4'-P-C4' energy: -100.739
flat angles P-C4'-P energy: -69.532
tors. eta vs tors. theta energy: -112.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1394.245605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.245605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.245605 (E_RNA)
where:
Base-Base interactions energy: -969.289
where: short stacking energy: -413.711
Base-Backbone interact. energy: -1.687
local terms energy: -423.269853
where:
bonds (distance) C4'-P energy: -77.530
bonds (distance) P-C4' energy: -85.758
flat angles C4'-P-C4' energy: -88.582
flat angles P-C4'-P energy: -60.092
tors. eta vs tors. theta energy: -111.308
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: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1347.586708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.586708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.586708 (E_RNA)
where:
Base-Base interactions energy: -936.526
where: short stacking energy: -397.861
Base-Backbone interact. energy: -1.714
local terms energy: -409.347033
where:
bonds (distance) C4'-P energy: -75.978
bonds (distance) P-C4' energy: -82.902
flat angles C4'-P-C4' energy: -94.287
flat angles P-C4'-P energy: -50.009
tors. eta vs tors. theta energy: -106.171
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: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1204.529713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.529713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.529713 (E_RNA)
where:
Base-Base interactions energy: -817.038
where: short stacking energy: -391.032
Base-Backbone interact. energy: 0.247
local terms energy: -387.738891
where:
bonds (distance) C4'-P energy: -73.946
bonds (distance) P-C4' energy: -76.593
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -99.275
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: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -988.032519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.032519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.032519 (E_RNA)
where:
Base-Base interactions energy: -660.166
where: short stacking energy: -303.938
Base-Backbone interact. energy: 2.055
local terms energy: -329.921130
where:
bonds (distance) C4'-P energy: -71.509
bonds (distance) P-C4' energy: -86.921
flat angles C4'-P-C4' energy: -78.564
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -61.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -857.242254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.242254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.242254 (E_RNA)
where:
Base-Base interactions energy: -544.229
where: short stacking energy: -282.704
Base-Backbone interact. energy: 4.928
local terms energy: -317.941298
where:
bonds (distance) C4'-P energy: -67.970
bonds (distance) P-C4' energy: -84.064
flat angles C4'-P-C4' energy: -68.172
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -47.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -668.630686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.630686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.630686 (E_RNA)
where:
Base-Base interactions energy: -401.674
where: short stacking energy: -214.622
Base-Backbone interact. energy: 2.505
local terms energy: -269.461177
where:
bonds (distance) C4'-P energy: -71.654
bonds (distance) P-C4' energy: -64.477
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -33.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1652.251018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.251018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.251018 (E_RNA)
where:
Base-Base interactions energy: -1161.475
where: short stacking energy: -520.803
Base-Backbone interact. energy: -1.044
local terms energy: -489.731162
where:
bonds (distance) C4'-P energy: -94.239
bonds (distance) P-C4' energy: -96.244
flat angles C4'-P-C4' energy: -88.654
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -140.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1589.637854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.637854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.637854 (E_RNA)
where:
Base-Base interactions energy: -1101.697
where: short stacking energy: -496.036
Base-Backbone interact. energy: -1.878
local terms energy: -486.063384
where:
bonds (distance) C4'-P energy: -78.056
bonds (distance) P-C4' energy: -101.816
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -143.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1549.127019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.127019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.127019 (E_RNA)
where:
Base-Base interactions energy: -1063.648
where: short stacking energy: -483.242
Base-Backbone interact. energy: -1.486
local terms energy: -483.993221
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -87.929
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -142.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1437.346371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.346371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.346371 (E_RNA)
where:
Base-Base interactions energy: -991.578
where: short stacking energy: -415.491
Base-Backbone interact. energy: 4.367
local terms energy: -450.135257
where:
bonds (distance) C4'-P energy: -93.973
bonds (distance) P-C4' energy: -85.994
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -57.334
tors. eta vs tors. theta energy: -108.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1403.218277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.218277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.218277 (E_RNA)
where:
Base-Base interactions energy: -958.635
where: short stacking energy: -412.486
Base-Backbone interact. energy: 1.008
local terms energy: -445.591074
where:
bonds (distance) C4'-P energy: -66.974
bonds (distance) P-C4' energy: -94.154
flat angles C4'-P-C4' energy: -102.647
flat angles P-C4'-P energy: -69.874
tors. eta vs tors. theta energy: -111.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1304.388469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.388469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.388469 (E_RNA)
where:
Base-Base interactions energy: -905.642
where: short stacking energy: -386.389
Base-Backbone interact. energy: -2.703
local terms energy: -396.043603
where:
bonds (distance) C4'-P energy: -82.115
bonds (distance) P-C4' energy: -81.736
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -101.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1203.790788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.790788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.790788 (E_RNA)
where:
Base-Base interactions energy: -827.680
where: short stacking energy: -352.032
Base-Backbone interact. energy: -1.498
local terms energy: -374.611972
where:
bonds (distance) C4'-P energy: -77.623
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -85.084
flat angles P-C4'-P energy: -46.234
tors. eta vs tors. theta energy: -87.631
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: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -994.605320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.605320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.605320 (E_RNA)
where:
Base-Base interactions energy: -652.288
where: short stacking energy: -286.779
Base-Backbone interact. energy: -2.047
local terms energy: -340.269472
where:
bonds (distance) C4'-P energy: -77.921
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -78.817
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -51.649
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -844.789609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.789609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.789609 (E_RNA)
where:
Base-Base interactions energy: -531.327
where: short stacking energy: -242.646
Base-Backbone interact. energy: 0.690
local terms energy: -314.153411
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -84.953
flat angles C4'-P-C4' energy: -82.530
flat angles P-C4'-P energy: -47.874
tors. eta vs tors. theta energy: -39.857
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: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -661.241929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.241929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.241929 (E_RNA)
where:
Base-Base interactions energy: -387.016
where: short stacking energy: -187.399
Base-Backbone interact. energy: 4.531
local terms energy: -278.757254
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -85.082
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -40.082
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1669.430917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.430917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.430917 (E_RNA)
where:
Base-Base interactions energy: -1162.132
where: short stacking energy: -514.895
Base-Backbone interact. energy: -3.706
local terms energy: -503.593357
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -90.095
flat angles C4'-P-C4' energy: -105.492
flat angles P-C4'-P energy: -70.882
tors. eta vs tors. theta energy: -146.122
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: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1576.134729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.134729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.134729 (E_RNA)
where:
Base-Base interactions energy: -1086.348
where: short stacking energy: -473.530
Base-Backbone interact. energy: -3.538
local terms energy: -486.249179
where:
bonds (distance) C4'-P energy: -93.595
bonds (distance) P-C4' energy: -92.124
flat angles C4'-P-C4' energy: -99.802
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -128.705
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1575.848102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.848102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.848102 (E_RNA)
where:
Base-Base interactions energy: -1077.223
where: short stacking energy: -493.723
Base-Backbone interact. energy: -0.821
local terms energy: -497.804015
where:
bonds (distance) C4'-P energy: -95.440
bonds (distance) P-C4' energy: -87.022
flat angles C4'-P-C4' energy: -104.718
flat angles P-C4'-P energy: -66.575
tors. eta vs tors. theta energy: -144.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1443.215255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.215255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.215255 (E_RNA)
where:
Base-Base interactions energy: -1011.106
where: short stacking energy: -425.098
Base-Backbone interact. energy: -1.730
local terms energy: -430.378790
where:
bonds (distance) C4'-P energy: -77.808
bonds (distance) P-C4' energy: -84.646
flat angles C4'-P-C4' energy: -96.055
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -117.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1377.656837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.656837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.656837 (E_RNA)
where:
Base-Base interactions energy: -969.244
where: short stacking energy: -410.034
Base-Backbone interact. energy: -1.546
local terms energy: -406.867112
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -75.622
flat angles C4'-P-C4' energy: -91.012
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -106.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1338.692168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.692168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.692168 (E_RNA)
where:
Base-Base interactions energy: -920.387
where: short stacking energy: -402.894
Base-Backbone interact. energy: -2.831
local terms energy: -415.474436
where:
bonds (distance) C4'-P energy: -73.674
bonds (distance) P-C4' energy: -72.398
flat angles C4'-P-C4' energy: -99.352
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -114.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1250.429517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.429517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.429517 (E_RNA)
where:
Base-Base interactions energy: -863.772
where: short stacking energy: -375.538
Base-Backbone interact. energy: -1.948
local terms energy: -384.709345
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -71.870
flat angles C4'-P-C4' energy: -88.987
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -103.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1014.575995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.575995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.575995 (E_RNA)
where:
Base-Base interactions energy: -679.536
where: short stacking energy: -291.825
Base-Backbone interact. energy: -0.844
local terms energy: -334.195943
where:
bonds (distance) C4'-P energy: -68.323
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -86.670
flat angles P-C4'-P energy: -53.499
tors. eta vs tors. theta energy: -63.498
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: 335
Temperature: 1.300000
Total energy: -860.261832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.261832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.261832 (E_RNA)
where:
Base-Base interactions energy: -521.148
where: short stacking energy: -255.855
Base-Backbone interact. energy: -0.840
local terms energy: -338.274014
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -86.223
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: -61.317
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: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -664.532122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.532122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.532122 (E_RNA)
where:
Base-Base interactions energy: -383.620
where: short stacking energy: -197.095
Base-Backbone interact. energy: 1.162
local terms energy: -282.073267
where:
bonds (distance) C4'-P energy: -76.266
bonds (distance) P-C4' energy: -76.478
flat angles C4'-P-C4' energy: -83.098
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1677.122529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.122529 (E_RNA)
where:
Base-Base interactions energy: -1185.063
where: short stacking energy: -524.500
Base-Backbone interact. energy: 1.823
local terms energy: -493.882171
where:
bonds (distance) C4'-P energy: -83.108
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -105.794
flat angles P-C4'-P energy: -71.203
tors. eta vs tors. theta energy: -146.652
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: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1571.971577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.971577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.971577 (E_RNA)
where:
Base-Base interactions energy: -1093.228
where: short stacking energy: -464.406
Base-Backbone interact. energy: 2.506
local terms energy: -481.250202
where:
bonds (distance) C4'-P energy: -85.644
bonds (distance) P-C4' energy: -90.594
flat angles C4'-P-C4' energy: -97.440
flat angles P-C4'-P energy: -70.534
tors. eta vs tors. theta energy: -137.039
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1531.265025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.265025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.265025 (E_RNA)
where:
Base-Base interactions energy: -1048.779
where: short stacking energy: -505.191
Base-Backbone interact. energy: -0.150
local terms energy: -482.336176
where:
bonds (distance) C4'-P energy: -82.334
bonds (distance) P-C4' energy: -85.357
flat angles C4'-P-C4' energy: -95.471
flat angles P-C4'-P energy: -69.359
tors. eta vs tors. theta energy: -149.815
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: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1439.702791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.702791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.702791 (E_RNA)
where:
Base-Base interactions energy: -993.645
where: short stacking energy: -434.030
Base-Backbone interact. energy: -0.258
local terms energy: -445.799732
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -97.251
flat angles C4'-P-C4' energy: -85.159
flat angles P-C4'-P energy: -65.567
tors. eta vs tors. theta energy: -120.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1354.807244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.807244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.807244 (E_RNA)
where:
Base-Base interactions energy: -929.069
where: short stacking energy: -380.540
Base-Backbone interact. energy: -4.780
local terms energy: -420.958405
where:
bonds (distance) C4'-P energy: -86.730
bonds (distance) P-C4' energy: -81.512
flat angles C4'-P-C4' energy: -94.978
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -96.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1326.391280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.391280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.391280 (E_RNA)
where:
Base-Base interactions energy: -895.230
where: short stacking energy: -376.462
Base-Backbone interact. energy: 2.363
local terms energy: -433.524125
where:
bonds (distance) C4'-P energy: -88.506
bonds (distance) P-C4' energy: -91.740
flat angles C4'-P-C4' energy: -94.239
flat angles P-C4'-P energy: -63.045
tors. eta vs tors. theta energy: -95.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1223.589836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.589836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.589836 (E_RNA)
where:
Base-Base interactions energy: -852.512
where: short stacking energy: -382.566
Base-Backbone interact. energy: -2.545
local terms energy: -368.533053
where:
bonds (distance) C4'-P energy: -66.019
bonds (distance) P-C4' energy: -72.042
flat angles C4'-P-C4' energy: -88.441
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1009.464466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.464466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.464466 (E_RNA)
where:
Base-Base interactions energy: -663.299
where: short stacking energy: -300.902
Base-Backbone interact. energy: -1.428
local terms energy: -344.738380
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -85.182
flat angles C4'-P-C4' energy: -80.294
flat angles P-C4'-P energy: -60.593
tors. eta vs tors. theta energy: -54.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -854.990438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.990438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.990438 (E_RNA)
where:
Base-Base interactions energy: -540.712
where: short stacking energy: -260.531
Base-Backbone interact. energy: -0.945
local terms energy: -313.333213
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -61.954
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -56.288
tors. eta vs tors. theta energy: -51.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -586.737135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.737135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.737135 (E_RNA)
where:
Base-Base interactions energy: -350.349
where: short stacking energy: -174.846
Base-Backbone interact. energy: 4.980
local terms energy: -241.368761
where:
bonds (distance) C4'-P energy: -55.416
bonds (distance) P-C4' energy: -63.443
flat angles C4'-P-C4' energy: -68.853
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1682.609721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.609721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.609721 (E_RNA)
where:
Base-Base interactions energy: -1170.941
where: short stacking energy: -519.812
Base-Backbone interact. energy: -2.562
local terms energy: -509.106099
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -85.574
flat angles C4'-P-C4' energy: -104.585
flat angles P-C4'-P energy: -78.996
tors. eta vs tors. theta energy: -146.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1605.224115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.224115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.224115 (E_RNA)
where:
Base-Base interactions energy: -1109.203
where: short stacking energy: -468.627
Base-Backbone interact. energy: -1.641
local terms energy: -494.380023
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -97.080
flat angles C4'-P-C4' energy: -97.124
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -139.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1521.074215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.074215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.074215 (E_RNA)
where:
Base-Base interactions energy: -1027.835
where: short stacking energy: -464.157
Base-Backbone interact. energy: -1.756
local terms energy: -491.482810
where:
bonds (distance) C4'-P energy: -86.841
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -103.044
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -143.137
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: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1432.056796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.056796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.056796 (E_RNA)
where:
Base-Base interactions energy: -996.096
where: short stacking energy: -426.235
Base-Backbone interact. energy: -2.286
local terms energy: -433.674716
where:
bonds (distance) C4'-P energy: -79.935
bonds (distance) P-C4' energy: -77.267
flat angles C4'-P-C4' energy: -98.253
flat angles P-C4'-P energy: -64.491
tors. eta vs tors. theta energy: -113.729
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: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1358.442947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.442947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.442947 (E_RNA)
where:
Base-Base interactions energy: -944.687
where: short stacking energy: -393.778
Base-Backbone interact. energy: 0.152
local terms energy: -413.908188
where:
bonds (distance) C4'-P energy: -80.068
bonds (distance) P-C4' energy: -85.599
flat angles C4'-P-C4' energy: -83.288
flat angles P-C4'-P energy: -62.352
tors. eta vs tors. theta energy: -102.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1283.860164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.860164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.860164 (E_RNA)
where:
Base-Base interactions energy: -898.617
where: short stacking energy: -377.429
Base-Backbone interact. energy: -0.607
local terms energy: -384.635947
where:
bonds (distance) C4'-P energy: -72.006
bonds (distance) P-C4' energy: -78.371
flat angles C4'-P-C4' energy: -89.574
flat angles P-C4'-P energy: -57.533
tors. eta vs tors. theta energy: -87.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1217.774581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.774581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.774581 (E_RNA)
where:
Base-Base interactions energy: -834.345
where: short stacking energy: -360.045
Base-Backbone interact. energy: -1.198
local terms energy: -382.231207
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -75.238
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -57.099
tors. eta vs tors. theta energy: -99.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -979.966272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.966272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.966272 (E_RNA)
where:
Base-Base interactions energy: -644.403
where: short stacking energy: -289.656
Base-Backbone interact. energy: 0.476
local terms energy: -336.039866
where:
bonds (distance) C4'-P energy: -67.875
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -76.987
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: -51.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -809.050264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.050264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.050264 (E_RNA)
where:
Base-Base interactions energy: -489.927
where: short stacking energy: -215.249
Base-Backbone interact. energy: -0.044
local terms energy: -319.079614
where:
bonds (distance) C4'-P energy: -75.149
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -77.992
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -32.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -672.505535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.505535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.505535 (E_RNA)
where:
Base-Base interactions energy: -379.448
where: short stacking energy: -208.190
Base-Backbone interact. energy: 2.285
local terms energy: -295.342272
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -75.171
flat angles C4'-P-C4' energy: -63.905
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -31.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1679.580641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.580641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.580641 (E_RNA)
where:
Base-Base interactions energy: -1183.083
where: short stacking energy: -516.015
Base-Backbone interact. energy: -0.183
local terms energy: -496.315535
where:
bonds (distance) C4'-P energy: -82.919
bonds (distance) P-C4' energy: -92.631
flat angles C4'-P-C4' energy: -105.972
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -142.290
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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1605.270141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.270141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.270141 (E_RNA)
where:
Base-Base interactions energy: -1127.033
where: short stacking energy: -480.914
Base-Backbone interact. energy: -3.608
local terms energy: -474.629075
where:
bonds (distance) C4'-P energy: -91.668
bonds (distance) P-C4' energy: -88.672
flat angles C4'-P-C4' energy: -99.305
flat angles P-C4'-P energy: -60.876
tors. eta vs tors. theta energy: -134.109
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: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1535.271745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.271745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.271745 (E_RNA)
where:
Base-Base interactions energy: -1047.471
where: short stacking energy: -451.726
Base-Backbone interact. energy: -1.474
local terms energy: -486.327565
where:
bonds (distance) C4'-P energy: -88.396
bonds (distance) P-C4' energy: -79.024
flat angles C4'-P-C4' energy: -108.225
flat angles P-C4'-P energy: -66.895
tors. eta vs tors. theta energy: -143.788
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1466.789574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.789574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.789574 (E_RNA)
where:
Base-Base interactions energy: -1001.026
where: short stacking energy: -433.085
Base-Backbone interact. energy: -1.943
local terms energy: -463.820482
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -90.236
flat angles C4'-P-C4' energy: -105.314
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: -120.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1353.973712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.973712 (E_RNA)
where:
Base-Base interactions energy: -942.729
where: short stacking energy: -360.135
Base-Backbone interact. energy: -0.652
local terms energy: -410.592877
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -90.534
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -53.818
tors. eta vs tors. theta energy: -103.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1267.350369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.350369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.350369 (E_RNA)
where:
Base-Base interactions energy: -862.443
where: short stacking energy: -390.676
Base-Backbone interact. energy: -1.308
local terms energy: -403.599515
where:
bonds (distance) C4'-P energy: -66.023
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -90.839
flat angles P-C4'-P energy: -62.866
tors. eta vs tors. theta energy: -96.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1211.361577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.361577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.361577 (E_RNA)
where:
Base-Base interactions energy: -824.609
where: short stacking energy: -351.646
Base-Backbone interact. energy: -2.538
local terms energy: -384.214628
where:
bonds (distance) C4'-P energy: -72.068
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -85.517
flat angles P-C4'-P energy: -61.082
tors. eta vs tors. theta energy: -92.960
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: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1048.309897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.309897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.309897 (E_RNA)
where:
Base-Base interactions energy: -705.157
where: short stacking energy: -341.319
Base-Backbone interact. energy: 0.014
local terms energy: -343.166197
where:
bonds (distance) C4'-P energy: -64.404
bonds (distance) P-C4' energy: -73.693
flat angles C4'-P-C4' energy: -84.964
flat angles P-C4'-P energy: -51.009
tors. eta vs tors. theta energy: -69.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -845.977787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.977787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.977787 (E_RNA)
where:
Base-Base interactions energy: -540.937
where: short stacking energy: -242.981
Base-Backbone interact. energy: 0.849
local terms energy: -305.890306
where:
bonds (distance) C4'-P energy: -74.852
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -74.024
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -31.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -618.565254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.565254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.565254 (E_RNA)
where:
Base-Base interactions energy: -373.350
where: short stacking energy: -167.649
Base-Backbone interact. energy: -2.056
local terms energy: -243.159351
where:
bonds (distance) C4'-P energy: -68.087
bonds (distance) P-C4' energy: -69.290
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -4.966
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1673.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.682154 (E_RNA)
where:
Base-Base interactions energy: -1154.425
where: short stacking energy: -502.549
Base-Backbone interact. energy: -0.680
local terms energy: -518.577210
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -92.685
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -74.655
tors. eta vs tors. theta energy: -147.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1620.022470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.022470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.022470 (E_RNA)
where:
Base-Base interactions energy: -1113.531
where: short stacking energy: -512.449
Base-Backbone interact. energy: -2.172
local terms energy: -504.320130
where:
bonds (distance) C4'-P energy: -88.896
bonds (distance) P-C4' energy: -95.148
flat angles C4'-P-C4' energy: -98.962
flat angles P-C4'-P energy: -73.068
tors. eta vs tors. theta energy: -148.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1519.008078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.008078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.008078 (E_RNA)
where:
Base-Base interactions energy: -1038.039
where: short stacking energy: -477.562
Base-Backbone interact. energy: -1.202
local terms energy: -479.767300
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -91.138
flat angles C4'-P-C4' energy: -96.264
flat angles P-C4'-P energy: -63.053
tors. eta vs tors. theta energy: -145.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1453.658803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.658803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.658803 (E_RNA)
where:
Base-Base interactions energy: -992.546
where: short stacking energy: -438.133
Base-Backbone interact. energy: 0.496
local terms energy: -461.608123
where:
bonds (distance) C4'-P energy: -83.100
bonds (distance) P-C4' energy: -96.626
flat angles C4'-P-C4' energy: -99.174
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -120.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1398.899844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.899844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.899844 (E_RNA)
where:
Base-Base interactions energy: -952.665
where: short stacking energy: -404.986
Base-Backbone interact. energy: 3.813
local terms energy: -450.048629
where:
bonds (distance) C4'-P energy: -83.272
bonds (distance) P-C4' energy: -91.443
flat angles C4'-P-C4' energy: -98.706
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -112.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1246.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.149555 (E_RNA)
where:
Base-Base interactions energy: -838.636
where: short stacking energy: -371.950
Base-Backbone interact. energy: -0.928
local terms energy: -406.584989
where:
bonds (distance) C4'-P energy: -85.040
bonds (distance) P-C4' energy: -89.484
flat angles C4'-P-C4' energy: -84.361
flat angles P-C4'-P energy: -52.126
tors. eta vs tors. theta energy: -95.574
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: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1257.548113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.548113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.548113 (E_RNA)
where:
Base-Base interactions energy: -855.926
where: short stacking energy: -371.008
Base-Backbone interact. energy: -0.305
local terms energy: -401.317173
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -86.651
flat angles C4'-P-C4' energy: -89.961
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -102.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -945.238710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.238710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.238710 (E_RNA)
where:
Base-Base interactions energy: -628.126
where: short stacking energy: -287.114
Base-Backbone interact. energy: 1.312
local terms energy: -318.424769
where:
bonds (distance) C4'-P energy: -70.360
bonds (distance) P-C4' energy: -72.645
flat angles C4'-P-C4' energy: -74.026
flat angles P-C4'-P energy: -55.630
tors. eta vs tors. theta energy: -45.764
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: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -890.828238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.828238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.828238 (E_RNA)
where:
Base-Base interactions energy: -535.066
where: short stacking energy: -278.288
Base-Backbone interact. energy: 2.568
local terms energy: -358.330075
where:
bonds (distance) C4'-P energy: -75.027
bonds (distance) P-C4' energy: -86.355
flat angles C4'-P-C4' energy: -78.341
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -61.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -676.404287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.404287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.404287 (E_RNA)
where:
Base-Base interactions energy: -391.762
where: short stacking energy: -184.149
Base-Backbone interact. energy: 0.846
local terms energy: -285.488981
where:
bonds (distance) C4'-P energy: -75.611
bonds (distance) P-C4' energy: -94.860
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1673.711397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.711397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.711397 (E_RNA)
where:
Base-Base interactions energy: -1155.396
where: short stacking energy: -502.265
Base-Backbone interact. energy: -1.282
local terms energy: -517.033000
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -113.570
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -137.150
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: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1616.201031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.201031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.201031 (E_RNA)
where:
Base-Base interactions energy: -1109.181
where: short stacking energy: -495.031
Base-Backbone interact. energy: -2.541
local terms energy: -504.479007
where:
bonds (distance) C4'-P energy: -93.416
bonds (distance) P-C4' energy: -88.790
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -66.175
tors. eta vs tors. theta energy: -149.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1546.273441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.273441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.273441 (E_RNA)
where:
Base-Base interactions energy: -1036.269
where: short stacking energy: -460.046
Base-Backbone interact. energy: -0.850
local terms energy: -509.154741
where:
bonds (distance) C4'-P energy: -89.195
bonds (distance) P-C4' energy: -94.716
flat angles C4'-P-C4' energy: -107.055
flat angles P-C4'-P energy: -71.954
tors. eta vs tors. theta energy: -146.235
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: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1461.492689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.492689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.492689 (E_RNA)
where:
Base-Base interactions energy: -1011.430
where: short stacking energy: -440.071
Base-Backbone interact. energy: -1.871
local terms energy: -448.191632
where:
bonds (distance) C4'-P energy: -87.987
bonds (distance) P-C4' energy: -85.041
flat angles C4'-P-C4' energy: -88.562
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -120.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1410.618128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.618128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.618128 (E_RNA)
where:
Base-Base interactions energy: -977.632
where: short stacking energy: -388.926
Base-Backbone interact. energy: -0.792
local terms energy: -432.194252
where:
bonds (distance) C4'-P energy: -78.804
bonds (distance) P-C4' energy: -79.684
flat angles C4'-P-C4' energy: -95.209
flat angles P-C4'-P energy: -72.768
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: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1227.132002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.132002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.132002 (E_RNA)
where:
Base-Base interactions energy: -819.508
where: short stacking energy: -377.096
Base-Backbone interact. energy: -1.638
local terms energy: -405.986334
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -85.608
flat angles C4'-P-C4' energy: -94.916
flat angles P-C4'-P energy: -56.055
tors. eta vs tors. theta energy: -103.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1242.831739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.831739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.831739 (E_RNA)
where:
Base-Base interactions energy: -837.134
where: short stacking energy: -381.155
Base-Backbone interact. energy: 0.497
local terms energy: -406.194726
where:
bonds (distance) C4'-P energy: -85.221
bonds (distance) P-C4' energy: -80.311
flat angles C4'-P-C4' energy: -88.063
flat angles P-C4'-P energy: -58.776
tors. eta vs tors. theta energy: -93.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -969.420176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.420176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.420176 (E_RNA)
where:
Base-Base interactions energy: -647.667
where: short stacking energy: -282.660
Base-Backbone interact. energy: 3.152
local terms energy: -324.904746
where:
bonds (distance) C4'-P energy: -66.545
bonds (distance) P-C4' energy: -76.934
flat angles C4'-P-C4' energy: -81.615
flat angles P-C4'-P energy: -42.248
tors. eta vs tors. theta energy: -57.562
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: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -864.308982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.308982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.308982 (E_RNA)
where:
Base-Base interactions energy: -543.491
where: short stacking energy: -251.416
Base-Backbone interact. energy: -0.737
local terms energy: -320.080861
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -76.090
flat angles C4'-P-C4' energy: -67.880
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -51.229
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -586.011275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.011275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.011275 (E_RNA)
where:
Base-Base interactions energy: -323.797
where: short stacking energy: -159.502
Base-Backbone interact. energy: 1.811
local terms energy: -264.025831
where:
bonds (distance) C4'-P energy: -82.606
bonds (distance) P-C4' energy: -72.916
flat angles C4'-P-C4' energy: -66.478
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -11.500
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: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1652.527712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.527712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.527712 (E_RNA)
where:
Base-Base interactions energy: -1148.175
where: short stacking energy: -500.200
Base-Backbone interact. energy: -2.438
local terms energy: -501.914792
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -106.054
flat angles P-C4'-P energy: -80.694
tors. eta vs tors. theta energy: -135.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1612.841457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.841457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.841457 (E_RNA)
where:
Base-Base interactions energy: -1101.448
where: short stacking energy: -490.675
Base-Backbone interact. energy: -1.483
local terms energy: -509.909832
where:
bonds (distance) C4'-P energy: -91.169
bonds (distance) P-C4' energy: -87.429
flat angles C4'-P-C4' energy: -115.271
flat angles P-C4'-P energy: -70.249
tors. eta vs tors. theta energy: -145.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1545.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.211217 (E_RNA)
where:
Base-Base interactions energy: -1072.359
where: short stacking energy: -494.756
Base-Backbone interact. energy: -1.105
local terms energy: -471.747270
where:
bonds (distance) C4'-P energy: -82.294
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -88.014
flat angles P-C4'-P energy: -58.335
tors. eta vs tors. theta energy: -148.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1492.711099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.711099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.711099 (E_RNA)
where:
Base-Base interactions energy: -1042.564
where: short stacking energy: -425.579
Base-Backbone interact. energy: -2.322
local terms energy: -447.824915
where:
bonds (distance) C4'-P energy: -83.258
bonds (distance) P-C4' energy: -91.063
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -62.081
tors. eta vs tors. theta energy: -114.358
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: 341
Temperature: 1.100000
Total energy: -1399.699438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.699438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.699438 (E_RNA)
where:
Base-Base interactions energy: -955.263
where: short stacking energy: -398.880
Base-Backbone interact. energy: 0.821
local terms energy: -445.257862
where:
bonds (distance) C4'-P energy: -78.852
bonds (distance) P-C4' energy: -85.555
flat angles C4'-P-C4' energy: -99.803
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -112.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1306.021783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.021783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.021783 (E_RNA)
where:
Base-Base interactions energy: -904.339
where: short stacking energy: -401.350
Base-Backbone interact. energy: -1.992
local terms energy: -399.690740
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -75.083
flat angles C4'-P-C4' energy: -91.956
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -110.967
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: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1224.754063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.754063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.754063 (E_RNA)
where:
Base-Base interactions energy: -857.010
where: short stacking energy: -377.664
Base-Backbone interact. energy: -4.166
local terms energy: -363.577168
where:
bonds (distance) C4'-P energy: -67.042
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -72.639
flat angles P-C4'-P energy: -55.783
tors. eta vs tors. theta energy: -90.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -972.204534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.204534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.204534 (E_RNA)
where:
Base-Base interactions energy: -643.139
where: short stacking energy: -279.914
Base-Backbone interact. energy: -1.884
local terms energy: -327.181079
where:
bonds (distance) C4'-P energy: -74.261
bonds (distance) P-C4' energy: -75.395
flat angles C4'-P-C4' energy: -73.293
flat angles P-C4'-P energy: -50.755
tors. eta vs tors. theta energy: -53.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -860.282180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.282180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.282180 (E_RNA)
where:
Base-Base interactions energy: -529.954
where: short stacking energy: -250.988
Base-Backbone interact. energy: 4.493
local terms energy: -334.821711
where:
bonds (distance) C4'-P energy: -66.644
bonds (distance) P-C4' energy: -95.878
flat angles C4'-P-C4' energy: -83.297
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -43.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -593.348750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.348750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.348750 (E_RNA)
where:
Base-Base interactions energy: -338.023
where: short stacking energy: -191.987
Base-Backbone interact. energy: 1.123
local terms energy: -256.449144
where:
bonds (distance) C4'-P energy: -65.240
bonds (distance) P-C4' energy: -76.109
flat angles C4'-P-C4' energy: -63.004
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1632.120201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.120201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.120201 (E_RNA)
where:
Base-Base interactions energy: -1149.126
where: short stacking energy: -509.257
Base-Backbone interact. energy: -1.501
local terms energy: -481.493095
where:
bonds (distance) C4'-P energy: -86.457
bonds (distance) P-C4' energy: -77.686
flat angles C4'-P-C4' energy: -100.283
flat angles P-C4'-P energy: -73.416
tors. eta vs tors. theta energy: -143.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1634.794497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.794497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.794497 (E_RNA)
where:
Base-Base interactions energy: -1135.747
where: short stacking energy: -490.699
Base-Backbone interact. energy: -1.790
local terms energy: -497.258025
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -89.032
flat angles C4'-P-C4' energy: -101.202
flat angles P-C4'-P energy: -78.181
tors. eta vs tors. theta energy: -137.452
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: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1526.335246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.335246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.335246 (E_RNA)
where:
Base-Base interactions energy: -1073.096
where: short stacking energy: -436.257
Base-Backbone interact. energy: -5.751
local terms energy: -447.489010
where:
bonds (distance) C4'-P energy: -81.805
bonds (distance) P-C4' energy: -81.047
flat angles C4'-P-C4' energy: -100.026
flat angles P-C4'-P energy: -70.677
tors. eta vs tors. theta energy: -113.935
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: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1503.393828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.393828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.393828 (E_RNA)
where:
Base-Base interactions energy: -1033.809
where: short stacking energy: -446.798
Base-Backbone interact. energy: -1.741
local terms energy: -467.844110
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -100.940
flat angles P-C4'-P energy: -66.994
tors. eta vs tors. theta energy: -136.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1389.747503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.747503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.747503 (E_RNA)
where:
Base-Base interactions energy: -965.191
where: short stacking energy: -389.409
Base-Backbone interact. energy: 1.558
local terms energy: -426.114478
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -81.789
flat angles C4'-P-C4' energy: -90.119
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -97.917
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: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1296.263635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.263635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.263635 (E_RNA)
where:
Base-Base interactions energy: -885.755
where: short stacking energy: -403.557
Base-Backbone interact. energy: -1.843
local terms energy: -408.665264
where:
bonds (distance) C4'-P energy: -73.042
bonds (distance) P-C4' energy: -83.875
flat angles C4'-P-C4' energy: -90.633
flat angles P-C4'-P energy: -58.965
tors. eta vs tors. theta energy: -102.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1171.432263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.432263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.432263 (E_RNA)
where:
Base-Base interactions energy: -785.150
where: short stacking energy: -358.450
Base-Backbone interact. energy: -1.487
local terms energy: -384.794888
where:
bonds (distance) C4'-P energy: -71.287
bonds (distance) P-C4' energy: -80.726
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -60.011
tors. eta vs tors. theta energy: -89.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -962.705127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.705127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.705127 (E_RNA)
where:
Base-Base interactions energy: -614.245
where: short stacking energy: -276.815
Base-Backbone interact. energy: -0.859
local terms energy: -347.601479
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -78.492
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -53.921
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -818.059079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.059079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.059079 (E_RNA)
where:
Base-Base interactions energy: -505.617
where: short stacking energy: -237.657
Base-Backbone interact. energy: 4.168
local terms energy: -316.609946
where:
bonds (distance) C4'-P energy: -81.495
bonds (distance) P-C4' energy: -76.554
flat angles C4'-P-C4' energy: -78.020
flat angles P-C4'-P energy: -47.027
tors. eta vs tors. theta energy: -33.514
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: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -604.038808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.038808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.038808 (E_RNA)
where:
Base-Base interactions energy: -330.991
where: short stacking energy: -157.078
Base-Backbone interact. energy: -1.359
local terms energy: -271.688980
where:
bonds (distance) C4'-P energy: -75.518
bonds (distance) P-C4' energy: -97.192
flat angles C4'-P-C4' energy: -68.451
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: 12.091
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: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1639.209974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.209974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.209974 (E_RNA)
where:
Base-Base interactions energy: -1134.265
where: short stacking energy: -497.055
Base-Backbone interact. energy: -3.289
local terms energy: -501.655600
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -95.970
flat angles C4'-P-C4' energy: -111.086
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -142.109
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: 343
Temperature: 0.950000
Total energy: -1630.652331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.652331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.652331 (E_RNA)
where:
Base-Base interactions energy: -1150.648
where: short stacking energy: -490.594
Base-Backbone interact. energy: -2.137
local terms energy: -477.867457
where:
bonds (distance) C4'-P energy: -89.031
bonds (distance) P-C4' energy: -84.833
flat angles C4'-P-C4' energy: -103.080
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -142.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1509.679047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.679047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.679047 (E_RNA)
where:
Base-Base interactions energy: -1068.974
where: short stacking energy: -442.219
Base-Backbone interact. energy: 4.701
local terms energy: -445.406401
where:
bonds (distance) C4'-P energy: -79.705
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -94.199
flat angles P-C4'-P energy: -68.788
tors. eta vs tors. theta energy: -123.555
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: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1481.026166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.026166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.026166 (E_RNA)
where:
Base-Base interactions energy: -1020.291
where: short stacking energy: -488.930
Base-Backbone interact. energy: -0.793
local terms energy: -459.942132
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -82.275
flat angles C4'-P-C4' energy: -100.671
flat angles P-C4'-P energy: -67.538
tors. eta vs tors. theta energy: -140.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1377.906530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.906530 (E_RNA)
where:
Base-Base interactions energy: -945.578
where: short stacking energy: -401.152
Base-Backbone interact. energy: -2.014
local terms energy: -430.314628
where:
bonds (distance) C4'-P energy: -84.271
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -93.075
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -112.961
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: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1328.716571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.716571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.716571 (E_RNA)
where:
Base-Base interactions energy: -921.395
where: short stacking energy: -424.517
Base-Backbone interact. energy: 1.186
local terms energy: -408.507179
where:
bonds (distance) C4'-P energy: -84.487
bonds (distance) P-C4' energy: -70.719
flat angles C4'-P-C4' energy: -81.778
flat angles P-C4'-P energy: -58.309
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: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1157.535308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.535308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.535308 (E_RNA)
where:
Base-Base interactions energy: -814.306
where: short stacking energy: -326.816
Base-Backbone interact. energy: -1.833
local terms energy: -341.396537
where:
bonds (distance) C4'-P energy: -68.963
bonds (distance) P-C4' energy: -83.554
flat angles C4'-P-C4' energy: -71.916
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -69.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -954.779816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.779816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.779816 (E_RNA)
where:
Base-Base interactions energy: -602.893
where: short stacking energy: -280.048
Base-Backbone interact. energy: 3.729
local terms energy: -355.615453
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -82.748
flat angles C4'-P-C4' energy: -90.722
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -59.877
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: 343
Temperature: 1.300000
Total energy: -818.136854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.136854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.136854 (E_RNA)
where:
Base-Base interactions energy: -529.533
where: short stacking energy: -259.058
Base-Backbone interact. energy: 2.861
local terms energy: -291.465278
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -79.364
flat angles C4'-P-C4' energy: -65.323
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -34.684
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: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -662.599616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.599616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.599616 (E_RNA)
where:
Base-Base interactions energy: -381.680
where: short stacking energy: -201.019
Base-Backbone interact. energy: 0.947
local terms energy: -281.866851
where:
bonds (distance) C4'-P energy: -78.130
bonds (distance) P-C4' energy: -81.646
flat angles C4'-P-C4' energy: -69.212
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -4.484
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: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1649.483131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.483131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.483131 (E_RNA)
where:
Base-Base interactions energy: -1139.110
where: short stacking energy: -513.405
Base-Backbone interact. energy: -4.279
local terms energy: -506.094751
where:
bonds (distance) C4'-P energy: -100.281
bonds (distance) P-C4' energy: -94.139
flat angles C4'-P-C4' energy: -102.065
flat angles P-C4'-P energy: -62.897
tors. eta vs tors. theta energy: -146.712
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1632.731934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.731934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.731934 (E_RNA)
where:
Base-Base interactions energy: -1135.320
where: short stacking energy: -506.526
Base-Backbone interact. energy: -2.496
local terms energy: -494.915324
where:
bonds (distance) C4'-P energy: -96.074
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -101.722
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -151.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1528.107185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.107185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.107185 (E_RNA)
where:
Base-Base interactions energy: -1082.455
where: short stacking energy: -423.331
Base-Backbone interact. energy: -7.233
local terms energy: -438.419615
where:
bonds (distance) C4'-P energy: -82.503
bonds (distance) P-C4' energy: -85.974
flat angles C4'-P-C4' energy: -95.617
flat angles P-C4'-P energy: -62.817
tors. eta vs tors. theta energy: -111.509
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1485.676375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.676375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.676375 (E_RNA)
where:
Base-Base interactions energy: -990.164
where: short stacking energy: -474.540
Base-Backbone interact. energy: -1.773
local terms energy: -493.739593
where:
bonds (distance) C4'-P energy: -91.054
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -104.526
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -144.469
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: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1394.385573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.385573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.385573 (E_RNA)
where:
Base-Base interactions energy: -940.680
where: short stacking energy: -394.875
Base-Backbone interact. energy: -1.577
local terms energy: -452.129321
where:
bonds (distance) C4'-P energy: -79.963
bonds (distance) P-C4' energy: -98.900
flat angles C4'-P-C4' energy: -93.353
flat angles P-C4'-P energy: -66.344
tors. eta vs tors. theta energy: -113.569
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: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1340.371965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.371965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.371965 (E_RNA)
where:
Base-Base interactions energy: -932.133
where: short stacking energy: -423.701
Base-Backbone interact. energy: 2.452
local terms energy: -410.690285
where:
bonds (distance) C4'-P energy: -66.131
bonds (distance) P-C4' energy: -77.895
flat angles C4'-P-C4' energy: -96.438
flat angles P-C4'-P energy: -55.122
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: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1170.368969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.368969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.368969 (E_RNA)
where:
Base-Base interactions energy: -786.209
where: short stacking energy: -372.336
Base-Backbone interact. energy: -0.830
local terms energy: -383.330403
where:
bonds (distance) C4'-P energy: -66.757
bonds (distance) P-C4' energy: -71.478
flat angles C4'-P-C4' energy: -91.858
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -97.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -966.160149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.160149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.160149 (E_RNA)
where:
Base-Base interactions energy: -647.726
where: short stacking energy: -313.620
Base-Backbone interact. energy: -1.106
local terms energy: -317.327978
where:
bonds (distance) C4'-P energy: -57.642
bonds (distance) P-C4' energy: -68.364
flat angles C4'-P-C4' energy: -79.186
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: -65.640
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: 344
Temperature: 1.300000
Total energy: -767.999585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.999585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.999585 (E_RNA)
where:
Base-Base interactions energy: -469.914
where: short stacking energy: -227.028
Base-Backbone interact. energy: 0.329
local terms energy: -298.413764
where:
bonds (distance) C4'-P energy: -70.471
bonds (distance) P-C4' energy: -85.276
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -29.842
tors. eta vs tors. theta energy: -43.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -571.138529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.138529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.138529 (E_RNA)
where:
Base-Base interactions energy: -316.318
where: short stacking energy: -152.874
Base-Backbone interact. energy: 1.655
local terms energy: -256.475887
where:
bonds (distance) C4'-P energy: -72.857
bonds (distance) P-C4' energy: -61.416
flat angles C4'-P-C4' energy: -60.266
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -6.507
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: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1635.227259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.227259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.227259 (E_RNA)
where:
Base-Base interactions energy: -1137.311
where: short stacking energy: -512.230
Base-Backbone interact. energy: -3.126
local terms energy: -494.790939
where:
bonds (distance) C4'-P energy: -92.307
bonds (distance) P-C4' energy: -78.132
flat angles C4'-P-C4' energy: -106.840
flat angles P-C4'-P energy: -71.980
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1642.589354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.589354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.589354 (E_RNA)
where:
Base-Base interactions energy: -1126.711
where: short stacking energy: -512.688
Base-Backbone interact. energy: -1.112
local terms energy: -514.765827
where:
bonds (distance) C4'-P energy: -87.285
bonds (distance) P-C4' energy: -99.333
flat angles C4'-P-C4' energy: -105.547
flat angles P-C4'-P energy: -77.984
tors. eta vs tors. theta energy: -144.617
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: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1519.170213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.170213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.170213 (E_RNA)
where:
Base-Base interactions energy: -1085.034
where: short stacking energy: -433.445
Base-Backbone interact. energy: -2.512
local terms energy: -431.623937
where:
bonds (distance) C4'-P energy: -81.940
bonds (distance) P-C4' energy: -86.471
flat angles C4'-P-C4' energy: -97.363
flat angles P-C4'-P energy: -48.277
tors. eta vs tors. theta energy: -117.573
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: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1482.667757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.667757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.667757 (E_RNA)
where:
Base-Base interactions energy: -1005.557
where: short stacking energy: -478.443
Base-Backbone interact. energy: -0.528
local terms energy: -476.582738
where:
bonds (distance) C4'-P energy: -71.310
bonds (distance) P-C4' energy: -94.843
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -69.622
tors. eta vs tors. theta energy: -141.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1361.967451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.967451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.967451 (E_RNA)
where:
Base-Base interactions energy: -930.705
where: short stacking energy: -394.370
Base-Backbone interact. energy: 0.055
local terms energy: -431.317337
where:
bonds (distance) C4'-P energy: -87.228
bonds (distance) P-C4' energy: -89.231
flat angles C4'-P-C4' energy: -87.947
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -111.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1349.499856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.499856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.499856 (E_RNA)
where:
Base-Base interactions energy: -933.196
where: short stacking energy: -402.809
Base-Backbone interact. energy: -1.215
local terms energy: -415.089354
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -110.356
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: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1188.615891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.615891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.615891 (E_RNA)
where:
Base-Base interactions energy: -778.071
where: short stacking energy: -352.543
Base-Backbone interact. energy: 0.090
local terms energy: -410.635670
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -87.333
flat angles C4'-P-C4' energy: -94.276
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -87.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -983.572465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.572465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.572465 (E_RNA)
where:
Base-Base interactions energy: -665.732
where: short stacking energy: -300.647
Base-Backbone interact. energy: 1.367
local terms energy: -319.207496
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -73.811
flat angles C4'-P-C4' energy: -86.079
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -53.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -772.720034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.720034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.720034 (E_RNA)
where:
Base-Base interactions energy: -485.411
where: short stacking energy: -244.487
Base-Backbone interact. energy: 1.751
local terms energy: -289.060769
where:
bonds (distance) C4'-P energy: -74.488
bonds (distance) P-C4' energy: -71.547
flat angles C4'-P-C4' energy: -80.033
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -569.215871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.215871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.215871 (E_RNA)
where:
Base-Base interactions energy: -308.375
where: short stacking energy: -167.510
Base-Backbone interact. energy: 4.037
local terms energy: -264.877671
where:
bonds (distance) C4'-P energy: -68.968
bonds (distance) P-C4' energy: -83.921
flat angles C4'-P-C4' energy: -66.160
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1663.506967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.506967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.506967 (E_RNA)
where:
Base-Base interactions energy: -1157.574
where: short stacking energy: -494.649
Base-Backbone interact. energy: -2.921
local terms energy: -503.011547
where:
bonds (distance) C4'-P energy: -85.842
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -107.889
flat angles P-C4'-P energy: -70.467
tors. eta vs tors. theta energy: -143.812
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: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1618.697385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.697385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.697385 (E_RNA)
where:
Base-Base interactions energy: -1124.688
where: short stacking energy: -510.251
Base-Backbone interact. energy: -1.536
local terms energy: -492.473350
where:
bonds (distance) C4'-P energy: -90.558
bonds (distance) P-C4' energy: -85.831
flat angles C4'-P-C4' energy: -106.202
flat angles P-C4'-P energy: -71.432
tors. eta vs tors. theta energy: -138.451
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1496.082154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.082154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.082154 (E_RNA)
where:
Base-Base interactions energy: -1061.288
where: short stacking energy: -432.559
Base-Backbone interact. energy: 1.180
local terms energy: -435.974916
where:
bonds (distance) C4'-P energy: -84.343
bonds (distance) P-C4' energy: -79.275
flat angles C4'-P-C4' energy: -83.719
flat angles P-C4'-P energy: -71.375
tors. eta vs tors. theta energy: -117.263
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: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1439.583063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.583063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.583063 (E_RNA)
where:
Base-Base interactions energy: -967.788
where: short stacking energy: -443.601
Base-Backbone interact. energy: -0.595
local terms energy: -471.200422
where:
bonds (distance) C4'-P energy: -88.466
bonds (distance) P-C4' energy: -83.429
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -68.324
tors. eta vs tors. theta energy: -128.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1381.864920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.864920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.864920 (E_RNA)
where:
Base-Base interactions energy: -938.707
where: short stacking energy: -399.309
Base-Backbone interact. energy: -0.186
local terms energy: -442.971875
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -90.227
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -122.565
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1340.319747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.319747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.319747 (E_RNA)
where:
Base-Base interactions energy: -926.219
where: short stacking energy: -401.503
Base-Backbone interact. energy: -1.468
local terms energy: -412.632691
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -78.679
flat angles C4'-P-C4' energy: -98.481
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -111.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1173.618827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.618827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.618827 (E_RNA)
where:
Base-Base interactions energy: -797.448
where: short stacking energy: -365.975
Base-Backbone interact. energy: 0.438
local terms energy: -376.608422
where:
bonds (distance) C4'-P energy: -73.716
bonds (distance) P-C4' energy: -65.096
flat angles C4'-P-C4' energy: -92.574
flat angles P-C4'-P energy: -52.998
tors. eta vs tors. theta energy: -92.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -965.781454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.781454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.781454 (E_RNA)
where:
Base-Base interactions energy: -646.038
where: short stacking energy: -303.437
Base-Backbone interact. energy: 1.148
local terms energy: -320.890829
where:
bonds (distance) C4'-P energy: -64.627
bonds (distance) P-C4' energy: -85.835
flat angles C4'-P-C4' energy: -78.536
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -793.876542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.876542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.876542 (E_RNA)
where:
Base-Base interactions energy: -501.950
where: short stacking energy: -239.867
Base-Backbone interact. energy: 0.076
local terms energy: -292.003353
where:
bonds (distance) C4'-P energy: -74.165
bonds (distance) P-C4' energy: -67.958
flat angles C4'-P-C4' energy: -70.185
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -33.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -544.356379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.356379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.356379 (E_RNA)
where:
Base-Base interactions energy: -283.548
where: short stacking energy: -173.551
Base-Backbone interact. energy: -1.548
local terms energy: -259.259972
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -67.605
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1668.339517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.339517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.339517 (E_RNA)
where:
Base-Base interactions energy: -1167.565
where: short stacking energy: -510.363
Base-Backbone interact. energy: -2.669
local terms energy: -498.105166
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -97.464
flat angles C4'-P-C4' energy: -107.809
flat angles P-C4'-P energy: -71.900
tors. eta vs tors. theta energy: -143.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1623.787704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.787704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.787704 (E_RNA)
where:
Base-Base interactions energy: -1128.470
where: short stacking energy: -508.040
Base-Backbone interact. energy: -0.576
local terms energy: -494.741443
where:
bonds (distance) C4'-P energy: -76.899
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -105.887
flat angles P-C4'-P energy: -72.431
tors. eta vs tors. theta energy: -145.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1475.375359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.375359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.375359 (E_RNA)
where:
Base-Base interactions energy: -1029.489
where: short stacking energy: -415.083
Base-Backbone interact. energy: 4.997
local terms energy: -450.883423
where:
bonds (distance) C4'-P energy: -89.547
bonds (distance) P-C4' energy: -94.076
flat angles C4'-P-C4' energy: -92.288
flat angles P-C4'-P energy: -63.536
tors. eta vs tors. theta energy: -111.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1447.623228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.623228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.623228 (E_RNA)
where:
Base-Base interactions energy: -990.085
where: short stacking energy: -436.469
Base-Backbone interact. energy: -1.224
local terms energy: -456.314215
where:
bonds (distance) C4'-P energy: -82.003
bonds (distance) P-C4' energy: -95.890
flat angles C4'-P-C4' energy: -80.126
flat angles P-C4'-P energy: -68.352
tors. eta vs tors. theta energy: -129.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1450.238043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.238043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.238043 (E_RNA)
where:
Base-Base interactions energy: -996.612
where: short stacking energy: -440.601
Base-Backbone interact. energy: -1.892
local terms energy: -451.734365
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -75.945
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -73.344
tors. eta vs tors. theta energy: -138.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1352.653077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.653077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.653077 (E_RNA)
where:
Base-Base interactions energy: -935.037
where: short stacking energy: -421.121
Base-Backbone interact. energy: -1.976
local terms energy: -415.640661
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -82.638
flat angles C4'-P-C4' energy: -98.477
flat angles P-C4'-P energy: -59.423
tors. eta vs tors. theta energy: -110.362
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: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1169.255800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.255800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.255800 (E_RNA)
where:
Base-Base interactions energy: -796.787
where: short stacking energy: -356.122
Base-Backbone interact. energy: -1.495
local terms energy: -370.973448
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -84.366
flat angles C4'-P-C4' energy: -84.055
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -95.596
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -966.309730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.309730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.309730 (E_RNA)
where:
Base-Base interactions energy: -649.285
where: short stacking energy: -290.913
Base-Backbone interact. energy: -0.195
local terms energy: -316.829630
where:
bonds (distance) C4'-P energy: -80.309
bonds (distance) P-C4' energy: -60.527
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -45.812
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -793.160820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.160820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.160820 (E_RNA)
where:
Base-Base interactions energy: -499.219
where: short stacking energy: -228.851
Base-Backbone interact. energy: 2.225
local terms energy: -296.167056
where:
bonds (distance) C4'-P energy: -67.705
bonds (distance) P-C4' energy: -76.770
flat angles C4'-P-C4' energy: -73.614
flat angles P-C4'-P energy: -45.097
tors. eta vs tors. theta energy: -32.982
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: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -546.312808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.312808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.312808 (E_RNA)
where:
Base-Base interactions energy: -287.399
where: short stacking energy: -156.852
Base-Backbone interact. energy: 3.344
local terms energy: -262.257728
where:
bonds (distance) C4'-P energy: -62.525
bonds (distance) P-C4' energy: -77.254
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -50.490
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1656.629745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.629745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.629745 (E_RNA)
where:
Base-Base interactions energy: -1159.630
where: short stacking energy: -528.359
Base-Backbone interact. energy: -4.351
local terms energy: -492.648132
where:
bonds (distance) C4'-P energy: -94.220
bonds (distance) P-C4' energy: -92.456
flat angles C4'-P-C4' energy: -99.390
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -141.320
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: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1606.113026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.113026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.113026 (E_RNA)
where:
Base-Base interactions energy: -1116.099
where: short stacking energy: -501.715
Base-Backbone interact. energy: 2.848
local terms energy: -492.862389
where:
bonds (distance) C4'-P energy: -90.760
bonds (distance) P-C4' energy: -88.576
flat angles C4'-P-C4' energy: -100.637
flat angles P-C4'-P energy: -70.863
tors. eta vs tors. theta energy: -142.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1481.183747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.183747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.183747 (E_RNA)
where:
Base-Base interactions energy: -1002.782
where: short stacking energy: -440.618
Base-Backbone interact. energy: -2.722
local terms energy: -475.679818
where:
bonds (distance) C4'-P energy: -92.444
bonds (distance) P-C4' energy: -82.714
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -71.202
tors. eta vs tors. theta energy: -132.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1450.685049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.685049 (E_RNA)
where:
Base-Base interactions energy: -1032.863
where: short stacking energy: -419.700
Base-Backbone interact. energy: 5.276
local terms energy: -423.099013
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -81.039
flat angles C4'-P-C4' energy: -95.855
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -121.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1446.239061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.239061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.239061 (E_RNA)
where:
Base-Base interactions energy: -997.948
where: short stacking energy: -445.662
Base-Backbone interact. energy: -0.347
local terms energy: -447.944045
where:
bonds (distance) C4'-P energy: -61.902
bonds (distance) P-C4' energy: -87.888
flat angles C4'-P-C4' energy: -99.303
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -134.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1323.285080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.285080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.285080 (E_RNA)
where:
Base-Base interactions energy: -912.163
where: short stacking energy: -390.456
Base-Backbone interact. energy: -1.788
local terms energy: -409.334281
where:
bonds (distance) C4'-P energy: -90.941
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -86.598
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -114.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1174.002798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.002798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.002798 (E_RNA)
where:
Base-Base interactions energy: -796.783
where: short stacking energy: -357.435
Base-Backbone interact. energy: -1.313
local terms energy: -375.906367
where:
bonds (distance) C4'-P energy: -75.787
bonds (distance) P-C4' energy: -70.321
flat angles C4'-P-C4' energy: -82.200
flat angles P-C4'-P energy: -57.805
tors. eta vs tors. theta energy: -89.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1035.295539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.295539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.295539 (E_RNA)
where:
Base-Base interactions energy: -668.535
where: short stacking energy: -301.832
Base-Backbone interact. energy: -2.396
local terms energy: -364.363768
where:
bonds (distance) C4'-P energy: -67.213
bonds (distance) P-C4' energy: -85.836
flat angles C4'-P-C4' energy: -86.022
flat angles P-C4'-P energy: -59.826
tors. eta vs tors. theta energy: -65.468
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: 348
Temperature: 1.300000
Total energy: -773.256774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.256774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.256774 (E_RNA)
where:
Base-Base interactions energy: -494.475
where: short stacking energy: -230.215
Base-Backbone interact. energy: -1.253
local terms energy: -277.528170
where:
bonds (distance) C4'-P energy: -59.389
bonds (distance) P-C4' energy: -71.026
flat angles C4'-P-C4' energy: -76.529
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -538.132983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.132983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.132983 (E_RNA)
where:
Base-Base interactions energy: -269.501
where: short stacking energy: -175.922
Base-Backbone interact. energy: 1.217
local terms energy: -269.849008
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -83.336
flat angles C4'-P-C4' energy: -71.618
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1666.492273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.492273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.492273 (E_RNA)
where:
Base-Base interactions energy: -1170.084
where: short stacking energy: -515.406
Base-Backbone interact. energy: 2.611
local terms energy: -499.020126
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -86.332
flat angles C4'-P-C4' energy: -103.485
flat angles P-C4'-P energy: -80.983
tors. eta vs tors. theta energy: -139.008
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: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1616.466877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.466877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.466877 (E_RNA)
where:
Base-Base interactions energy: -1117.987
where: short stacking energy: -483.850
Base-Backbone interact. energy: -2.688
local terms energy: -495.791739
where:
bonds (distance) C4'-P energy: -85.507
bonds (distance) P-C4' energy: -87.494
flat angles C4'-P-C4' energy: -108.744
flat angles P-C4'-P energy: -77.243
tors. eta vs tors. theta energy: -136.804
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: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1470.701910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.701910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.701910 (E_RNA)
where:
Base-Base interactions energy: -1026.022
where: short stacking energy: -449.115
Base-Backbone interact. energy: -0.976
local terms energy: -443.703760
where:
bonds (distance) C4'-P energy: -88.412
bonds (distance) P-C4' energy: -86.234
flat angles C4'-P-C4' energy: -90.004
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -126.944
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: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1441.127304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.127304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.127304 (E_RNA)
where:
Base-Base interactions energy: -976.243
where: short stacking energy: -449.167
Base-Backbone interact. energy: -0.665
local terms energy: -464.219053
where:
bonds (distance) C4'-P energy: -81.093
bonds (distance) P-C4' energy: -77.564
flat angles C4'-P-C4' energy: -97.383
flat angles P-C4'-P energy: -76.293
tors. eta vs tors. theta energy: -131.886
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: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1397.052312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.052312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.052312 (E_RNA)
where:
Base-Base interactions energy: -1003.406
where: short stacking energy: -405.824
Base-Backbone interact. energy: 6.584
local terms energy: -400.230004
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -88.893
flat angles C4'-P-C4' energy: -87.661
flat angles P-C4'-P energy: -37.241
tors. eta vs tors. theta energy: -104.672
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: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1337.067294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.067294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.067294 (E_RNA)
where:
Base-Base interactions energy: -926.697
where: short stacking energy: -407.013
Base-Backbone interact. energy: -2.048
local terms energy: -408.322231
where:
bonds (distance) C4'-P energy: -77.390
bonds (distance) P-C4' energy: -78.073
flat angles C4'-P-C4' energy: -87.988
flat angles P-C4'-P energy: -52.045
tors. eta vs tors. theta energy: -112.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1139.697001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.697001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.697001 (E_RNA)
where:
Base-Base interactions energy: -748.436
where: short stacking energy: -342.391
Base-Backbone interact. energy: 0.622
local terms energy: -391.883017
where:
bonds (distance) C4'-P energy: -80.239
bonds (distance) P-C4' energy: -84.928
flat angles C4'-P-C4' energy: -87.317
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -89.079
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: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -990.957725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.957725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.957725 (E_RNA)
where:
Base-Base interactions energy: -666.359
where: short stacking energy: -278.645
Base-Backbone interact. energy: -2.511
local terms energy: -322.087471
where:
bonds (distance) C4'-P energy: -75.186
bonds (distance) P-C4' energy: -90.732
flat angles C4'-P-C4' energy: -82.343
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -40.198
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: 349
Temperature: 1.300000
Total energy: -753.491711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.491711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.491711 (E_RNA)
where:
Base-Base interactions energy: -471.892
where: short stacking energy: -216.317
Base-Backbone interact. energy: -1.559
local terms energy: -280.040495
where:
bonds (distance) C4'-P energy: -73.423
bonds (distance) P-C4' energy: -72.080
flat angles C4'-P-C4' energy: -86.302
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -31.697
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: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -488.960073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.960073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.960073 (E_RNA)
where:
Base-Base interactions energy: -234.154
where: short stacking energy: -152.643
Base-Backbone interact. energy: 1.305
local terms energy: -256.110213
where:
bonds (distance) C4'-P energy: -68.418
bonds (distance) P-C4' energy: -74.008
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1662.021859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.021859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.021859 (E_RNA)
where:
Base-Base interactions energy: -1130.589
where: short stacking energy: -493.122
Base-Backbone interact. energy: -1.896
local terms energy: -529.537141
where:
bonds (distance) C4'-P energy: -96.377
bonds (distance) P-C4' energy: -97.502
flat angles C4'-P-C4' energy: -106.844
flat angles P-C4'-P energy: -79.175
tors. eta vs tors. theta energy: -149.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1630.465470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.465470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.465470 (E_RNA)
where:
Base-Base interactions energy: -1153.403
where: short stacking energy: -491.851
Base-Backbone interact. energy: 0.769
local terms energy: -477.831069
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -93.846
flat angles C4'-P-C4' energy: -95.041
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -128.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1457.502928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.502928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.502928 (E_RNA)
where:
Base-Base interactions energy: -1007.941
where: short stacking energy: -458.583
Base-Backbone interact. energy: -3.380
local terms energy: -446.181762
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -88.042
flat angles C4'-P-C4' energy: -91.650
flat angles P-C4'-P energy: -66.195
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: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1429.140868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.140868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.140868 (E_RNA)
where:
Base-Base interactions energy: -999.070
where: short stacking energy: -442.703
Base-Backbone interact. energy: 2.917
local terms energy: -432.988504
where:
bonds (distance) C4'-P energy: -68.078
bonds (distance) P-C4' energy: -73.758
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -65.570
tors. eta vs tors. theta energy: -130.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1408.005142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.005142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.005142 (E_RNA)
where:
Base-Base interactions energy: -983.692
where: short stacking energy: -381.817
Base-Backbone interact. energy: 4.548
local terms energy: -428.861453
where:
bonds (distance) C4'-P energy: -78.907
bonds (distance) P-C4' energy: -82.001
flat angles C4'-P-C4' energy: -91.349
flat angles P-C4'-P energy: -66.874
tors. eta vs tors. theta energy: -109.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1334.605751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.605751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.605751 (E_RNA)
where:
Base-Base interactions energy: -935.696
where: short stacking energy: -416.558
Base-Backbone interact. energy: -2.753
local terms energy: -396.156655
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -67.924
flat angles C4'-P-C4' energy: -85.852
flat angles P-C4'-P energy: -59.668
tors. eta vs tors. theta energy: -109.447
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: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1186.929714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.929714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.929714 (E_RNA)
where:
Base-Base interactions energy: -805.780
where: short stacking energy: -363.721
Base-Backbone interact. energy: -0.161
local terms energy: -380.987833
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -77.981
flat angles C4'-P-C4' energy: -88.917
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -85.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1001.861833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.861833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.861833 (E_RNA)
where:
Base-Base interactions energy: -662.886
where: short stacking energy: -319.265
Base-Backbone interact. energy: 1.622
local terms energy: -340.598273
where:
bonds (distance) C4'-P energy: -69.178
bonds (distance) P-C4' energy: -72.707
flat angles C4'-P-C4' energy: -88.328
flat angles P-C4'-P energy: -49.241
tors. eta vs tors. theta energy: -61.144
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: 350
Temperature: 1.300000
Total energy: -788.005098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.005098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.005098 (E_RNA)
where:
Base-Base interactions energy: -505.743
where: short stacking energy: -248.907
Base-Backbone interact. energy: -1.098
local terms energy: -281.163756
where:
bonds (distance) C4'-P energy: -61.954
bonds (distance) P-C4' energy: -66.374
flat angles C4'-P-C4' energy: -77.372
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -39.054
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: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -525.683004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.683004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.683004 (E_RNA)
where:
Base-Base interactions energy: -259.670
where: short stacking energy: -177.836
Base-Backbone interact. energy: 0.643
local terms energy: -266.656030
where:
bonds (distance) C4'-P energy: -72.350
bonds (distance) P-C4' energy: -71.161
flat angles C4'-P-C4' energy: -75.151
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1659.369790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.369790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.369790 (E_RNA)
where:
Base-Base interactions energy: -1155.334
where: short stacking energy: -512.815
Base-Backbone interact. energy: -4.776
local terms energy: -499.260574
where:
bonds (distance) C4'-P energy: -84.467
bonds (distance) P-C4' energy: -94.470
flat angles C4'-P-C4' energy: -104.221
flat angles P-C4'-P energy: -70.034
tors. eta vs tors. theta energy: -146.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1616.936920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.936920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.936920 (E_RNA)
where:
Base-Base interactions energy: -1131.294
where: short stacking energy: -490.265
Base-Backbone interact. energy: -0.190
local terms energy: -485.453216
where:
bonds (distance) C4'-P energy: -88.916
bonds (distance) P-C4' energy: -91.763
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -69.245
tors. eta vs tors. theta energy: -139.471
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: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1479.743514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.743514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.743514 (E_RNA)
where:
Base-Base interactions energy: -1019.634
where: short stacking energy: -453.954
Base-Backbone interact. energy: 0.514
local terms energy: -460.623511
where:
bonds (distance) C4'-P energy: -80.932
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -129.494
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: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1422.341024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.341024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.341024 (E_RNA)
where:
Base-Base interactions energy: -966.650
where: short stacking energy: -383.083
Base-Backbone interact. energy: -0.642
local terms energy: -455.048701
where:
bonds (distance) C4'-P energy: -85.324
bonds (distance) P-C4' energy: -102.043
flat angles C4'-P-C4' energy: -91.656
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -104.643
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: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1383.677899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.677899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.677899 (E_RNA)
where:
Base-Base interactions energy: -963.994
where: short stacking energy: -411.710
Base-Backbone interact. energy: -0.667
local terms energy: -419.016506
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -96.107
flat angles P-C4'-P energy: -68.997
tors. eta vs tors. theta energy: -129.304
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: 351
Temperature: 1.150000
Total energy: -1349.059754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.059754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.059754 (E_RNA)
where:
Base-Base interactions energy: -950.419
where: short stacking energy: -394.448
Base-Backbone interact. energy: -3.387
local terms energy: -395.254302
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -84.888
flat angles C4'-P-C4' energy: -88.824
flat angles P-C4'-P energy: -52.109
tors. eta vs tors. theta energy: -106.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1175.628460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.628460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.628460 (E_RNA)
where:
Base-Base interactions energy: -800.835
where: short stacking energy: -364.179
Base-Backbone interact. energy: -1.283
local terms energy: -373.510315
where:
bonds (distance) C4'-P energy: -79.520
bonds (distance) P-C4' energy: -84.563
flat angles C4'-P-C4' energy: -87.578
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -81.185
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1018.789478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.789478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.789478 (E_RNA)
where:
Base-Base interactions energy: -682.839
where: short stacking energy: -296.586
Base-Backbone interact. energy: -0.416
local terms energy: -335.534084
where:
bonds (distance) C4'-P energy: -77.277
bonds (distance) P-C4' energy: -83.205
flat angles C4'-P-C4' energy: -70.724
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -51.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -829.126053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.126053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.126053 (E_RNA)
where:
Base-Base interactions energy: -540.939
where: short stacking energy: -241.512
Base-Backbone interact. energy: -3.531
local terms energy: -284.655559
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -69.165
flat angles C4'-P-C4' energy: -58.475
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -37.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -552.342542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.342542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.342542 (E_RNA)
where:
Base-Base interactions energy: -261.417
where: short stacking energy: -155.499
Base-Backbone interact. energy: -1.883
local terms energy: -289.041871
where:
bonds (distance) C4'-P energy: -89.710
bonds (distance) P-C4' energy: -86.104
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -29.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1668.364174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.364174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.364174 (E_RNA)
where:
Base-Base interactions energy: -1149.398
where: short stacking energy: -504.379
Base-Backbone interact. energy: -3.948
local terms energy: -515.018482
where:
bonds (distance) C4'-P energy: -82.866
bonds (distance) P-C4' energy: -103.926
flat angles C4'-P-C4' energy: -104.420
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -151.918
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: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1633.129950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.129950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.129950 (E_RNA)
where:
Base-Base interactions energy: -1131.337
where: short stacking energy: -494.875
Base-Backbone interact. energy: -2.632
local terms energy: -499.160606
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -101.883
flat angles P-C4'-P energy: -66.361
tors. eta vs tors. theta energy: -138.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1460.252635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.252635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.252635 (E_RNA)
where:
Base-Base interactions energy: -1002.815
where: short stacking energy: -435.219
Base-Backbone interact. energy: -1.902
local terms energy: -455.534825
where:
bonds (distance) C4'-P energy: -86.794
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -98.581
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: -120.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1400.945203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.945203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.945203 (E_RNA)
where:
Base-Base interactions energy: -979.436
where: short stacking energy: -406.427
Base-Backbone interact. energy: -0.818
local terms energy: -420.691184
where:
bonds (distance) C4'-P energy: -75.924
bonds (distance) P-C4' energy: -76.528
flat angles C4'-P-C4' energy: -92.041
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -112.575
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1402.182279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.182279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.182279 (E_RNA)
where:
Base-Base interactions energy: -958.608
where: short stacking energy: -390.238
Base-Backbone interact. energy: 2.122
local terms energy: -445.696432
where:
bonds (distance) C4'-P energy: -88.821
bonds (distance) P-C4' energy: -84.155
flat angles C4'-P-C4' energy: -83.037
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -128.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1311.214317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.214317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.214317 (E_RNA)
where:
Base-Base interactions energy: -902.177
where: short stacking energy: -403.638
Base-Backbone interact. energy: 0.082
local terms energy: -409.119006
where:
bonds (distance) C4'-P energy: -83.543
bonds (distance) P-C4' energy: -78.371
flat angles C4'-P-C4' energy: -90.180
flat angles P-C4'-P energy: -47.175
tors. eta vs tors. theta energy: -109.849
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: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1161.299158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.299158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.299158 (E_RNA)
where:
Base-Base interactions energy: -777.535
where: short stacking energy: -351.751
Base-Backbone interact. energy: -0.358
local terms energy: -383.406192
where:
bonds (distance) C4'-P energy: -62.789
bonds (distance) P-C4' energy: -84.733
flat angles C4'-P-C4' energy: -87.431
flat angles P-C4'-P energy: -60.753
tors. eta vs tors. theta energy: -87.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1022.510219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.510219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.510219 (E_RNA)
where:
Base-Base interactions energy: -660.071
where: short stacking energy: -291.361
Base-Backbone interact. energy: -3.121
local terms energy: -359.318686
where:
bonds (distance) C4'-P energy: -93.897
bonds (distance) P-C4' energy: -84.500
flat angles C4'-P-C4' energy: -71.718
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -59.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -750.561187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.561187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.561187 (E_RNA)
where:
Base-Base interactions energy: -459.324
where: short stacking energy: -211.788
Base-Backbone interact. energy: -2.067
local terms energy: -289.170021
where:
bonds (distance) C4'-P energy: -67.760
bonds (distance) P-C4' energy: -74.373
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -23.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -527.275655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.275655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.275655 (E_RNA)
where:
Base-Base interactions energy: -268.885
where: short stacking energy: -164.344
Base-Backbone interact. energy: 1.402
local terms energy: -259.792196
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -80.580
flat angles C4'-P-C4' energy: -59.641
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1662.234306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.234306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.234306 (E_RNA)
where:
Base-Base interactions energy: -1159.153
where: short stacking energy: -521.930
Base-Backbone interact. energy: -1.604
local terms energy: -501.477033
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -84.733
flat angles C4'-P-C4' energy: -104.474
flat angles P-C4'-P energy: -78.041
tors. eta vs tors. theta energy: -148.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1613.176890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.176890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.176890 (E_RNA)
where:
Base-Base interactions energy: -1129.891
where: short stacking energy: -501.940
Base-Backbone interact. energy: -3.683
local terms energy: -479.603497
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -84.919
flat angles C4'-P-C4' energy: -105.676
flat angles P-C4'-P energy: -60.000
tors. eta vs tors. theta energy: -141.401
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1486.382652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.382652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.382652 (E_RNA)
where:
Base-Base interactions energy: -1025.675
where: short stacking energy: -454.410
Base-Backbone interact. energy: -1.288
local terms energy: -459.419707
where:
bonds (distance) C4'-P energy: -81.430
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -100.941
flat angles P-C4'-P energy: -57.113
tors. eta vs tors. theta energy: -123.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1414.206758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.206758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.206758 (E_RNA)
where:
Base-Base interactions energy: -981.912
where: short stacking energy: -410.587
Base-Backbone interact. energy: 4.182
local terms energy: -436.477110
where:
bonds (distance) C4'-P energy: -83.088
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -83.916
flat angles P-C4'-P energy: -63.628
tors. eta vs tors. theta energy: -109.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1402.070589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.070589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.070589 (E_RNA)
where:
Base-Base interactions energy: -940.211
where: short stacking energy: -440.478
Base-Backbone interact. energy: -1.392
local terms energy: -460.467891
where:
bonds (distance) C4'-P energy: -86.465
bonds (distance) P-C4' energy: -87.147
flat angles C4'-P-C4' energy: -95.715
flat angles P-C4'-P energy: -57.903
tors. eta vs tors. theta energy: -133.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1342.490571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.490571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.490571 (E_RNA)
where:
Base-Base interactions energy: -908.939
where: short stacking energy: -389.609
Base-Backbone interact. energy: 4.108
local terms energy: -437.660212
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -90.091
flat angles C4'-P-C4' energy: -89.214
flat angles P-C4'-P energy: -66.423
tors. eta vs tors. theta energy: -111.031
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: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1183.138130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.138130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.138130 (E_RNA)
where:
Base-Base interactions energy: -775.444
where: short stacking energy: -362.976
Base-Backbone interact. energy: -0.385
local terms energy: -407.308450
where:
bonds (distance) C4'-P energy: -81.360
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -88.867
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: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -985.436137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.436137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.436137 (E_RNA)
where:
Base-Base interactions energy: -653.639
where: short stacking energy: -280.703
Base-Backbone interact. energy: -1.630
local terms energy: -330.166675
where:
bonds (distance) C4'-P energy: -61.186
bonds (distance) P-C4' energy: -77.910
flat angles C4'-P-C4' energy: -77.734
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -823.387711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.387711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.387711 (E_RNA)
where:
Base-Base interactions energy: -519.808
where: short stacking energy: -250.694
Base-Backbone interact. energy: -1.833
local terms energy: -301.746909
where:
bonds (distance) C4'-P energy: -80.933
bonds (distance) P-C4' energy: -65.821
flat angles C4'-P-C4' energy: -70.430
flat angles P-C4'-P energy: -40.962
tors. eta vs tors. theta energy: -43.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -557.479325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.479325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.479325 (E_RNA)
where:
Base-Base interactions energy: -302.846
where: short stacking energy: -166.822
Base-Backbone interact. energy: 1.745
local terms energy: -256.378713
where:
bonds (distance) C4'-P energy: -66.818
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1641.978267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.978267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.978267 (E_RNA)
where:
Base-Base interactions energy: -1139.202
where: short stacking energy: -504.810
Base-Backbone interact. energy: -2.934
local terms energy: -499.842895
where:
bonds (distance) C4'-P energy: -90.910
bonds (distance) P-C4' energy: -83.666
flat angles C4'-P-C4' energy: -99.337
flat angles P-C4'-P energy: -75.605
tors. eta vs tors. theta energy: -150.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1621.071065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.071065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.071065 (E_RNA)
where:
Base-Base interactions energy: -1137.794
where: short stacking energy: -490.735
Base-Backbone interact. energy: -2.908
local terms energy: -480.368591
where:
bonds (distance) C4'-P energy: -79.285
bonds (distance) P-C4' energy: -88.468
flat angles C4'-P-C4' energy: -99.232
flat angles P-C4'-P energy: -69.566
tors. eta vs tors. theta energy: -143.818
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: 354
Temperature: 1.000000
Total energy: -1490.919954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.919954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.919954 (E_RNA)
where:
Base-Base interactions energy: -1034.779
where: short stacking energy: -443.862
Base-Backbone interact. energy: -2.539
local terms energy: -453.602622
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -86.789
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -126.626
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1448.327493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.327493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.327493 (E_RNA)
where:
Base-Base interactions energy: -1011.081
where: short stacking energy: -424.146
Base-Backbone interact. energy: 1.129
local terms energy: -438.375318
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -84.775
flat angles C4'-P-C4' energy: -99.046
flat angles P-C4'-P energy: -53.994
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: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1427.453487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.453487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.453487 (E_RNA)
where:
Base-Base interactions energy: -984.532
where: short stacking energy: -451.622
Base-Backbone interact. energy: 1.021
local terms energy: -443.942458
where:
bonds (distance) C4'-P energy: -78.442
bonds (distance) P-C4' energy: -69.358
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -61.280
tors. eta vs tors. theta energy: -134.530
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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1370.524485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.524485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.524485 (E_RNA)
where:
Base-Base interactions energy: -931.943
where: short stacking energy: -425.202
Base-Backbone interact. energy: -1.327
local terms energy: -437.255287
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -83.964
flat angles C4'-P-C4' energy: -103.662
flat angles P-C4'-P energy: -58.301
tors. eta vs tors. theta energy: -123.818
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: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1217.895482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.895482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.895482 (E_RNA)
where:
Base-Base interactions energy: -821.747
where: short stacking energy: -363.295
Base-Backbone interact. energy: -1.787
local terms energy: -394.361058
where:
bonds (distance) C4'-P energy: -66.494
bonds (distance) P-C4' energy: -84.878
flat angles C4'-P-C4' energy: -97.164
flat angles P-C4'-P energy: -65.176
tors. eta vs tors. theta energy: -80.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1012.952344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.952344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.952344 (E_RNA)
where:
Base-Base interactions energy: -650.580
where: short stacking energy: -302.205
Base-Backbone interact. energy: -0.355
local terms energy: -362.017770
where:
bonds (distance) C4'-P energy: -73.924
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -79.474
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -67.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -811.819802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.819802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.819802 (E_RNA)
where:
Base-Base interactions energy: -512.503
where: short stacking energy: -226.220
Base-Backbone interact. energy: -1.832
local terms energy: -297.484890
where:
bonds (distance) C4'-P energy: -74.856
bonds (distance) P-C4' energy: -73.004
flat angles C4'-P-C4' energy: -75.440
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -540.096557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.096557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.096557 (E_RNA)
where:
Base-Base interactions energy: -294.646
where: short stacking energy: -176.519
Base-Backbone interact. energy: 3.718
local terms energy: -249.168612
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -71.659
flat angles C4'-P-C4' energy: -72.681
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -14.325
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: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1673.238771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.238771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.238771 (E_RNA)
where:
Base-Base interactions energy: -1164.990
where: short stacking energy: -519.925
Base-Backbone interact. energy: -2.084
local terms energy: -506.164350
where:
bonds (distance) C4'-P energy: -82.214
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -103.189
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -145.477
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1625.923947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.923947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.923947 (E_RNA)
where:
Base-Base interactions energy: -1133.235
where: short stacking energy: -496.618
Base-Backbone interact. energy: -0.859
local terms energy: -491.829615
where:
bonds (distance) C4'-P energy: -90.459
bonds (distance) P-C4' energy: -85.990
flat angles C4'-P-C4' energy: -106.032
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -136.906
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: 355
Temperature: 1.000000
Total energy: -1506.311367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.311367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.311367 (E_RNA)
where:
Base-Base interactions energy: -1035.851
where: short stacking energy: -450.662
Base-Backbone interact. energy: -1.761
local terms energy: -468.699310
where:
bonds (distance) C4'-P energy: -87.397
bonds (distance) P-C4' energy: -80.623
flat angles C4'-P-C4' energy: -98.005
flat angles P-C4'-P energy: -73.894
tors. eta vs tors. theta energy: -128.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1469.893441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.893441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.893441 (E_RNA)
where:
Base-Base interactions energy: -996.217
where: short stacking energy: -462.849
Base-Backbone interact. energy: -1.812
local terms energy: -471.864066
where:
bonds (distance) C4'-P energy: -82.443
bonds (distance) P-C4' energy: -78.178
flat angles C4'-P-C4' energy: -104.013
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -135.311
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: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1388.375175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.375175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.375175 (E_RNA)
where:
Base-Base interactions energy: -970.105
where: short stacking energy: -406.394
Base-Backbone interact. energy: -1.227
local terms energy: -417.042810
where:
bonds (distance) C4'-P energy: -83.057
bonds (distance) P-C4' energy: -83.812
flat angles C4'-P-C4' energy: -96.013
flat angles P-C4'-P energy: -51.966
tors. eta vs tors. theta energy: -102.195
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: 355
Temperature: 1.150000
Total energy: -1329.447415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.447415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.447415 (E_RNA)
where:
Base-Base interactions energy: -924.475
where: short stacking energy: -417.135
Base-Backbone interact. energy: -0.087
local terms energy: -404.884664
where:
bonds (distance) C4'-P energy: -80.197
bonds (distance) P-C4' energy: -79.030
flat angles C4'-P-C4' energy: -98.449
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -105.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1192.113637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.113637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.113637 (E_RNA)
where:
Base-Base interactions energy: -830.159
where: short stacking energy: -370.815
Base-Backbone interact. energy: 2.414
local terms energy: -364.368533
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -76.857
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -84.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -979.039259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.039259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.039259 (E_RNA)
where:
Base-Base interactions energy: -652.433
where: short stacking energy: -282.853
Base-Backbone interact. energy: 5.417
local terms energy: -332.023946
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -96.452
flat angles C4'-P-C4' energy: -86.809
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -47.274
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: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -778.793968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.793968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.793968 (E_RNA)
where:
Base-Base interactions energy: -490.141
where: short stacking energy: -228.270
Base-Backbone interact. energy: -1.034
local terms energy: -287.619295
where:
bonds (distance) C4'-P energy: -78.921
bonds (distance) P-C4' energy: -81.616
flat angles C4'-P-C4' energy: -78.225
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -605.212625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.212625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.212625 (E_RNA)
where:
Base-Base interactions energy: -333.183
where: short stacking energy: -188.804
Base-Backbone interact. energy: -0.392
local terms energy: -271.637289
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -81.979
flat angles C4'-P-C4' energy: -74.185
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -10.775
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: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1673.672934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.672934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.672934 (E_RNA)
where:
Base-Base interactions energy: -1172.183
where: short stacking energy: -523.586
Base-Backbone interact. energy: -1.687
local terms energy: -499.802935
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -95.362
flat angles C4'-P-C4' energy: -101.166
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -151.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1640.754880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.754880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.754880 (E_RNA)
where:
Base-Base interactions energy: -1151.992
where: short stacking energy: -502.269
Base-Backbone interact. energy: -1.372
local terms energy: -487.390276
where:
bonds (distance) C4'-P energy: -84.115
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -107.512
flat angles P-C4'-P energy: -60.812
tors. eta vs tors. theta energy: -138.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1495.390556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.390556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.390556 (E_RNA)
where:
Base-Base interactions energy: -1021.318
where: short stacking energy: -466.375
Base-Backbone interact. energy: -0.757
local terms energy: -473.315257
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -100.494
flat angles P-C4'-P energy: -70.460
tors. eta vs tors. theta energy: -132.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1449.128528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.128528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.128528 (E_RNA)
where:
Base-Base interactions energy: -999.072
where: short stacking energy: -442.956
Base-Backbone interact. energy: -1.491
local terms energy: -448.565802
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -86.827
flat angles C4'-P-C4' energy: -89.733
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -127.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1370.768869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.768869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.768869 (E_RNA)
where:
Base-Base interactions energy: -949.713
where: short stacking energy: -420.655
Base-Backbone interact. energy: 0.330
local terms energy: -421.386114
where:
bonds (distance) C4'-P energy: -78.990
bonds (distance) P-C4' energy: -59.207
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -121.122
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1324.187929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.187929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.187929 (E_RNA)
where:
Base-Base interactions energy: -934.365
where: short stacking energy: -405.156
Base-Backbone interact. energy: -1.872
local terms energy: -387.951777
where:
bonds (distance) C4'-P energy: -69.891
bonds (distance) P-C4' energy: -80.444
flat angles C4'-P-C4' energy: -90.358
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -100.967
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1229.692152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.692152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.692152 (E_RNA)
where:
Base-Base interactions energy: -837.884
where: short stacking energy: -377.074
Base-Backbone interact. energy: -1.440
local terms energy: -390.368295
where:
bonds (distance) C4'-P energy: -76.925
bonds (distance) P-C4' energy: -82.071
flat angles C4'-P-C4' energy: -93.815
flat angles P-C4'-P energy: -45.145
tors. eta vs tors. theta energy: -92.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -977.569079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.569079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.569079 (E_RNA)
where:
Base-Base interactions energy: -636.821
where: short stacking energy: -294.290
Base-Backbone interact. energy: -0.891
local terms energy: -339.856771
where:
bonds (distance) C4'-P energy: -77.774
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -92.415
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -821.943973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.943973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.943973 (E_RNA)
where:
Base-Base interactions energy: -542.704
where: short stacking energy: -239.704
Base-Backbone interact. energy: 2.257
local terms energy: -281.497188
where:
bonds (distance) C4'-P energy: -72.562
bonds (distance) P-C4' energy: -59.429
flat angles C4'-P-C4' energy: -88.556
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -25.515
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: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -587.331735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.331735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.331735 (E_RNA)
where:
Base-Base interactions energy: -308.067
where: short stacking energy: -156.200
Base-Backbone interact. energy: -1.644
local terms energy: -277.620597
where:
bonds (distance) C4'-P energy: -66.776
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -82.291
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -16.796
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: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1651.776660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.776660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.776660 (E_RNA)
where:
Base-Base interactions energy: -1156.738
where: short stacking energy: -515.121
Base-Backbone interact. energy: -1.194
local terms energy: -493.844748
where:
bonds (distance) C4'-P energy: -85.703
bonds (distance) P-C4' energy: -78.821
flat angles C4'-P-C4' energy: -105.484
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -149.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1647.168629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.168629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.168629 (E_RNA)
where:
Base-Base interactions energy: -1148.564
where: short stacking energy: -506.272
Base-Backbone interact. energy: -0.926
local terms energy: -497.678319
where:
bonds (distance) C4'-P energy: -86.432
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -103.522
flat angles P-C4'-P energy: -72.788
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: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1501.761574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.761574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.761574 (E_RNA)
where:
Base-Base interactions energy: -1039.336
where: short stacking energy: -463.079
Base-Backbone interact. energy: -1.507
local terms energy: -460.918552
where:
bonds (distance) C4'-P energy: -81.987
bonds (distance) P-C4' energy: -80.475
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -61.268
tors. eta vs tors. theta energy: -140.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1463.542724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.542724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.542724 (E_RNA)
where:
Base-Base interactions energy: -998.795
where: short stacking energy: -454.911
Base-Backbone interact. energy: -1.148
local terms energy: -463.599636
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -98.605
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -131.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1371.632154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.632154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.632154 (E_RNA)
where:
Base-Base interactions energy: -922.312
where: short stacking energy: -416.149
Base-Backbone interact. energy: -3.987
local terms energy: -445.333434
where:
bonds (distance) C4'-P energy: -78.509
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -102.623
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -122.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1301.125910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.125910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.125910 (E_RNA)
where:
Base-Base interactions energy: -897.476
where: short stacking energy: -381.104
Base-Backbone interact. energy: 5.699
local terms energy: -409.348621
where:
bonds (distance) C4'-P energy: -85.165
bonds (distance) P-C4' energy: -82.341
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -99.786
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: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1233.920811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.920811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.920811 (E_RNA)
where:
Base-Base interactions energy: -836.567
where: short stacking energy: -374.899
Base-Backbone interact. energy: -3.512
local terms energy: -393.841627
where:
bonds (distance) C4'-P energy: -71.812
bonds (distance) P-C4' energy: -76.597
flat angles C4'-P-C4' energy: -95.788
flat angles P-C4'-P energy: -61.130
tors. eta vs tors. theta energy: -88.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -975.414661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.414661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.414661 (E_RNA)
where:
Base-Base interactions energy: -631.253
where: short stacking energy: -278.208
Base-Backbone interact. energy: -0.867
local terms energy: -343.294556
where:
bonds (distance) C4'-P energy: -75.205
bonds (distance) P-C4' energy: -84.423
flat angles C4'-P-C4' energy: -81.482
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -52.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -814.641377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.641377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.641377 (E_RNA)
where:
Base-Base interactions energy: -494.223
where: short stacking energy: -213.209
Base-Backbone interact. energy: 0.399
local terms energy: -320.817477
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -92.412
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -59.420
tors. eta vs tors. theta energy: -26.540
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: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -611.199714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.199714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.199714 (E_RNA)
where:
Base-Base interactions energy: -338.116
where: short stacking energy: -185.375
Base-Backbone interact. energy: -0.344
local terms energy: -272.740083
where:
bonds (distance) C4'-P energy: -80.985
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1648.665907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.665907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.665907 (E_RNA)
where:
Base-Base interactions energy: -1136.522
where: short stacking energy: -523.675
Base-Backbone interact. energy: -0.383
local terms energy: -511.760940
where:
bonds (distance) C4'-P energy: -82.943
bonds (distance) P-C4' energy: -92.858
flat angles C4'-P-C4' energy: -106.345
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -152.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1628.028548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.028548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.028548 (E_RNA)
where:
Base-Base interactions energy: -1145.555
where: short stacking energy: -491.232
Base-Backbone interact. energy: -3.922
local terms energy: -478.551805
where:
bonds (distance) C4'-P energy: -91.975
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -105.150
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -136.937
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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1509.895340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.895340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.895340 (E_RNA)
where:
Base-Base interactions energy: -1021.284
where: short stacking energy: -455.807
Base-Backbone interact. energy: -1.587
local terms energy: -487.024707
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -96.118
flat angles C4'-P-C4' energy: -98.023
flat angles P-C4'-P energy: -68.699
tors. eta vs tors. theta energy: -134.208
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1444.714693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.714693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.714693 (E_RNA)
where:
Base-Base interactions energy: -1010.994
where: short stacking energy: -439.996
Base-Backbone interact. energy: -2.168
local terms energy: -431.552104
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -95.070
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: -126.134
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: 358
Temperature: 1.100000
Total energy: -1403.456794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.456794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.456794 (E_RNA)
where:
Base-Base interactions energy: -960.152
where: short stacking energy: -434.549
Base-Backbone interact. energy: 1.680
local terms energy: -444.984025
where:
bonds (distance) C4'-P energy: -76.193
bonds (distance) P-C4' energy: -95.451
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -52.136
tors. eta vs tors. theta energy: -124.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1271.532511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.532511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.532511 (E_RNA)
where:
Base-Base interactions energy: -879.526
where: short stacking energy: -367.966
Base-Backbone interact. energy: 1.450
local terms energy: -393.456633
where:
bonds (distance) C4'-P energy: -73.279
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -79.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1202.677987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.677987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.677987 (E_RNA)
where:
Base-Base interactions energy: -819.086
where: short stacking energy: -316.023
Base-Backbone interact. energy: -1.856
local terms energy: -381.736388
where:
bonds (distance) C4'-P energy: -73.553
bonds (distance) P-C4' energy: -83.482
flat angles C4'-P-C4' energy: -88.303
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -87.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1002.491817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.491817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.491817 (E_RNA)
where:
Base-Base interactions energy: -657.425
where: short stacking energy: -301.607
Base-Backbone interact. energy: -2.367
local terms energy: -342.699884
where:
bonds (distance) C4'-P energy: -77.562
bonds (distance) P-C4' energy: -96.706
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -49.311
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: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -790.388744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.388744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.388744 (E_RNA)
where:
Base-Base interactions energy: -491.782
where: short stacking energy: -228.488
Base-Backbone interact. energy: -0.724
local terms energy: -297.881783
where:
bonds (distance) C4'-P energy: -63.446
bonds (distance) P-C4' energy: -78.400
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -43.931
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -582.758741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.758741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.758741 (E_RNA)
where:
Base-Base interactions energy: -321.360
where: short stacking energy: -174.173
Base-Backbone interact. energy: 0.558
local terms energy: -261.957085
where:
bonds (distance) C4'-P energy: -64.445
bonds (distance) P-C4' energy: -86.088
flat angles C4'-P-C4' energy: -48.685
flat angles P-C4'-P energy: -46.421
tors. eta vs tors. theta energy: -16.317
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: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1673.637227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.637227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.637227 (E_RNA)
where:
Base-Base interactions energy: -1160.684
where: short stacking energy: -533.091
Base-Backbone interact. energy: -3.730
local terms energy: -509.223487
where:
bonds (distance) C4'-P energy: -95.215
bonds (distance) P-C4' energy: -81.398
flat angles C4'-P-C4' energy: -107.314
flat angles P-C4'-P energy: -76.242
tors. eta vs tors. theta energy: -149.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1634.284328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.284328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.284328 (E_RNA)
where:
Base-Base interactions energy: -1133.084
where: short stacking energy: -495.842
Base-Backbone interact. energy: -2.227
local terms energy: -498.973054
where:
bonds (distance) C4'-P energy: -92.508
bonds (distance) P-C4' energy: -87.537
flat angles C4'-P-C4' energy: -105.997
flat angles P-C4'-P energy: -67.312
tors. eta vs tors. theta energy: -145.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1506.025743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.025743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.025743 (E_RNA)
where:
Base-Base interactions energy: -1039.363
where: short stacking energy: -492.739
Base-Backbone interact. energy: -1.201
local terms energy: -465.462271
where:
bonds (distance) C4'-P energy: -81.153
bonds (distance) P-C4' energy: -81.857
flat angles C4'-P-C4' energy: -95.028
flat angles P-C4'-P energy: -66.213
tors. eta vs tors. theta energy: -141.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1415.396577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.396577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.396577 (E_RNA)
where:
Base-Base interactions energy: -961.296
where: short stacking energy: -428.073
Base-Backbone interact. energy: 0.414
local terms energy: -454.514882
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -92.732
flat angles C4'-P-C4' energy: -104.315
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: -115.889
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: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1350.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.087646 (E_RNA)
where:
Base-Base interactions energy: -917.989
where: short stacking energy: -394.265
Base-Backbone interact. energy: -0.320
local terms energy: -431.778985
where:
bonds (distance) C4'-P energy: -82.735
bonds (distance) P-C4' energy: -85.776
flat angles C4'-P-C4' energy: -97.205
flat angles P-C4'-P energy: -60.665
tors. eta vs tors. theta energy: -105.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1297.503012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.503012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.503012 (E_RNA)
where:
Base-Base interactions energy: -915.059
where: short stacking energy: -388.160
Base-Backbone interact. energy: 5.903
local terms energy: -388.346855
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -80.843
flat angles C4'-P-C4' energy: -94.938
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -91.227
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: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1240.902216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.902216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.902216 (E_RNA)
where:
Base-Base interactions energy: -863.555
where: short stacking energy: -385.493
Base-Backbone interact. energy: -0.398
local terms energy: -376.948906
where:
bonds (distance) C4'-P energy: -70.688
bonds (distance) P-C4' energy: -76.696
flat angles C4'-P-C4' energy: -86.325
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -89.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1078.655459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.655459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.655459 (E_RNA)
where:
Base-Base interactions energy: -730.650
where: short stacking energy: -314.571
Base-Backbone interact. energy: -0.610
local terms energy: -347.395709
where:
bonds (distance) C4'-P energy: -66.850
bonds (distance) P-C4' energy: -80.331
flat angles C4'-P-C4' energy: -88.207
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -66.681
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: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -833.451970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.451970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.451970 (E_RNA)
where:
Base-Base interactions energy: -525.303
where: short stacking energy: -252.419
Base-Backbone interact. energy: -0.630
local terms energy: -307.518963
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -71.603
flat angles C4'-P-C4' energy: -83.383
flat angles P-C4'-P energy: -42.995
tors. eta vs tors. theta energy: -42.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -627.278484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.278484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.278484 (E_RNA)
where:
Base-Base interactions energy: -352.635
where: short stacking energy: -171.933
Base-Backbone interact. energy: 3.752
local terms energy: -278.395755
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -76.608
flat angles C4'-P-C4' energy: -56.346
flat angles P-C4'-P energy: -50.454
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1658.072598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.072598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.072598 (E_RNA)
where:
Base-Base interactions energy: -1145.139
where: short stacking energy: -521.448
Base-Backbone interact. energy: -3.030
local terms energy: -509.903164
where:
bonds (distance) C4'-P energy: -88.987
bonds (distance) P-C4' energy: -89.577
flat angles C4'-P-C4' energy: -110.742
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -152.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1628.936140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.936140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.936140 (E_RNA)
where:
Base-Base interactions energy: -1117.187
where: short stacking energy: -503.828
Base-Backbone interact. energy: -1.863
local terms energy: -509.885634
where:
bonds (distance) C4'-P energy: -85.185
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -101.452
flat angles P-C4'-P energy: -76.123
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: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1526.334411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.334411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.334411 (E_RNA)
where:
Base-Base interactions energy: -1043.400
where: short stacking energy: -483.506
Base-Backbone interact. energy: 0.003
local terms energy: -482.937108
where:
bonds (distance) C4'-P energy: -89.456
bonds (distance) P-C4' energy: -91.041
flat angles C4'-P-C4' energy: -88.693
flat angles P-C4'-P energy: -67.033
tors. eta vs tors. theta energy: -146.714
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: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1413.930617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.930617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.930617 (E_RNA)
where:
Base-Base interactions energy: -939.920
where: short stacking energy: -410.697
Base-Backbone interact. energy: 0.490
local terms energy: -474.500522
where:
bonds (distance) C4'-P energy: -99.814
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -100.262
flat angles P-C4'-P energy: -71.252
tors. eta vs tors. theta energy: -119.723
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: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1406.705582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.705582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.705582 (E_RNA)
where:
Base-Base interactions energy: -961.424
where: short stacking energy: -435.354
Base-Backbone interact. energy: -2.268
local terms energy: -443.013373
where:
bonds (distance) C4'-P energy: -87.462
bonds (distance) P-C4' energy: -78.560
flat angles C4'-P-C4' energy: -93.814
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -121.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1262.183809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.183809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.183809 (E_RNA)
where:
Base-Base interactions energy: -860.608
where: short stacking energy: -377.456
Base-Backbone interact. energy: -0.103
local terms energy: -401.473344
where:
bonds (distance) C4'-P energy: -79.357
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -96.763
flat angles P-C4'-P energy: -48.056
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: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1230.484725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.484725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.484725 (E_RNA)
where:
Base-Base interactions energy: -849.761
where: short stacking energy: -358.833
Base-Backbone interact. energy: -4.225
local terms energy: -376.499148
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -75.944
flat angles C4'-P-C4' energy: -87.974
flat angles P-C4'-P energy: -53.473
tors. eta vs tors. theta energy: -83.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1026.842936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.842936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.842936 (E_RNA)
where:
Base-Base interactions energy: -690.591
where: short stacking energy: -281.281
Base-Backbone interact. energy: -3.496
local terms energy: -332.754987
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -74.815
flat angles C4'-P-C4' energy: -80.777
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -51.503
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -856.445044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.445044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.445044 (E_RNA)
where:
Base-Base interactions energy: -534.947
where: short stacking energy: -238.924
Base-Backbone interact. energy: -2.531
local terms energy: -318.966670
where:
bonds (distance) C4'-P energy: -73.289
bonds (distance) P-C4' energy: -90.547
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -46.360
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: 360
Temperature: 1.350000
Total energy: -664.546600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.546600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.546600 (E_RNA)
where:
Base-Base interactions energy: -402.300
where: short stacking energy: -190.870
Base-Backbone interact. energy: 0.622
local terms energy: -262.868043
where:
bonds (distance) C4'-P energy: -72.309
bonds (distance) P-C4' energy: -68.356
flat angles C4'-P-C4' energy: -65.089
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: -22.551
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: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1675.779408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.779408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.779408 (E_RNA)
where:
Base-Base interactions energy: -1158.278
where: short stacking energy: -509.806
Base-Backbone interact. energy: -4.147
local terms energy: -513.353851
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -85.864
flat angles C4'-P-C4' energy: -104.332
flat angles P-C4'-P energy: -67.667
tors. eta vs tors. theta energy: -154.821
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: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1625.021251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.021251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.021251 (E_RNA)
where:
Base-Base interactions energy: -1113.232
where: short stacking energy: -490.071
Base-Backbone interact. energy: -2.894
local terms energy: -508.894965
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -72.400
tors. eta vs tors. theta energy: -143.545
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1506.592678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.592678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.592678 (E_RNA)
where:
Base-Base interactions energy: -1026.974
where: short stacking energy: -484.530
Base-Backbone interact. energy: 0.424
local terms energy: -480.043057
where:
bonds (distance) C4'-P energy: -85.122
bonds (distance) P-C4' energy: -85.418
flat angles C4'-P-C4' energy: -99.268
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -136.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1418.186990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.186990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.186990 (E_RNA)
where:
Base-Base interactions energy: -986.489
where: short stacking energy: -422.878
Base-Backbone interact. energy: -1.867
local terms energy: -429.830847
where:
bonds (distance) C4'-P energy: -71.577
bonds (distance) P-C4' energy: -78.791
flat angles C4'-P-C4' energy: -103.373
flat angles P-C4'-P energy: -59.090
tors. eta vs tors. theta energy: -117.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1376.050753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.050753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.050753 (E_RNA)
where:
Base-Base interactions energy: -940.670
where: short stacking energy: -412.493
Base-Backbone interact. energy: -0.517
local terms energy: -434.863537
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -81.884
flat angles C4'-P-C4' energy: -104.613
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -116.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1281.627526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.627526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.627526 (E_RNA)
where:
Base-Base interactions energy: -896.090
where: short stacking energy: -369.119
Base-Backbone interact. energy: -2.318
local terms energy: -383.219499
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -84.149
flat angles C4'-P-C4' energy: -82.053
flat angles P-C4'-P energy: -52.131
tors. eta vs tors. theta energy: -87.445
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1217.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.793393 (E_RNA)
where:
Base-Base interactions energy: -828.613
where: short stacking energy: -368.533
Base-Backbone interact. energy: 0.328
local terms energy: -389.507787
where:
bonds (distance) C4'-P energy: -80.461
bonds (distance) P-C4' energy: -78.831
flat angles C4'-P-C4' energy: -93.470
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -84.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -979.712837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.712837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.712837 (E_RNA)
where:
Base-Base interactions energy: -637.283
where: short stacking energy: -294.437
Base-Backbone interact. energy: -1.321
local terms energy: -341.108616
where:
bonds (distance) C4'-P energy: -64.737
bonds (distance) P-C4' energy: -71.806
flat angles C4'-P-C4' energy: -90.211
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -66.972
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: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -818.496465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.496465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.496465 (E_RNA)
where:
Base-Base interactions energy: -516.235
where: short stacking energy: -237.129
Base-Backbone interact. energy: 4.626
local terms energy: -306.887631
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -83.399
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -40.713
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: 361
Temperature: 1.350000
Total energy: -655.980014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.980014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.980014 (E_RNA)
where:
Base-Base interactions energy: -379.168
where: short stacking energy: -183.125
Base-Backbone interact. energy: 1.226
local terms energy: -278.038141
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -81.813
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1654.379837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.379837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.379837 (E_RNA)
where:
Base-Base interactions energy: -1150.786
where: short stacking energy: -511.036
Base-Backbone interact. energy: -2.758
local terms energy: -500.836191
where:
bonds (distance) C4'-P energy: -93.957
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -113.586
flat angles P-C4'-P energy: -63.142
tors. eta vs tors. theta energy: -137.969
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: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1617.361199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.361199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.361199 (E_RNA)
where:
Base-Base interactions energy: -1109.076
where: short stacking energy: -486.451
Base-Backbone interact. energy: -4.137
local terms energy: -504.148443
where:
bonds (distance) C4'-P energy: -90.436
bonds (distance) P-C4' energy: -91.813
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -146.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1477.414922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.414922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.414922 (E_RNA)
where:
Base-Base interactions energy: -1008.500
where: short stacking energy: -461.464
Base-Backbone interact. energy: -0.803
local terms energy: -468.112582
where:
bonds (distance) C4'-P energy: -80.000
bonds (distance) P-C4' energy: -86.966
flat angles C4'-P-C4' energy: -106.453
flat angles P-C4'-P energy: -63.441
tors. eta vs tors. theta energy: -131.253
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: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1474.131543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.131543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.131543 (E_RNA)
where:
Base-Base interactions energy: -993.856
where: short stacking energy: -465.745
Base-Backbone interact. energy: -1.252
local terms energy: -479.024021
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -106.628
flat angles P-C4'-P energy: -63.090
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: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1412.987795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.987795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.987795 (E_RNA)
where:
Base-Base interactions energy: -963.732
where: short stacking energy: -430.531
Base-Backbone interact. energy: -1.949
local terms energy: -447.307239
where:
bonds (distance) C4'-P energy: -82.043
bonds (distance) P-C4' energy: -81.204
flat angles C4'-P-C4' energy: -96.530
flat angles P-C4'-P energy: -60.455
tors. eta vs tors. theta energy: -127.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1289.723246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.723246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.723246 (E_RNA)
where:
Base-Base interactions energy: -901.974
where: short stacking energy: -392.278
Base-Backbone interact. energy: 1.463
local terms energy: -389.212971
where:
bonds (distance) C4'-P energy: -72.690
bonds (distance) P-C4' energy: -77.694
flat angles C4'-P-C4' energy: -93.179
flat angles P-C4'-P energy: -49.764
tors. eta vs tors. theta energy: -95.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1184.567485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.567485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.567485 (E_RNA)
where:
Base-Base interactions energy: -805.170
where: short stacking energy: -355.013
Base-Backbone interact. energy: 2.600
local terms energy: -381.997369
where:
bonds (distance) C4'-P energy: -75.058
bonds (distance) P-C4' energy: -83.767
flat angles C4'-P-C4' energy: -94.055
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -76.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -974.215801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.215801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.215801 (E_RNA)
where:
Base-Base interactions energy: -633.105
where: short stacking energy: -295.231
Base-Backbone interact. energy: -0.247
local terms energy: -340.864565
where:
bonds (distance) C4'-P energy: -73.544
bonds (distance) P-C4' energy: -84.487
flat angles C4'-P-C4' energy: -77.757
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -51.418
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -810.663804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.663804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.663804 (E_RNA)
where:
Base-Base interactions energy: -499.546
where: short stacking energy: -246.691
Base-Backbone interact. energy: 0.212
local terms energy: -311.330661
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -85.992
flat angles C4'-P-C4' energy: -74.352
flat angles P-C4'-P energy: -48.139
tors. eta vs tors. theta energy: -34.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -678.038995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.038995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.038995 (E_RNA)
where:
Base-Base interactions energy: -403.124
where: short stacking energy: -205.965
Base-Backbone interact. energy: 2.386
local terms energy: -277.300902
where:
bonds (distance) C4'-P energy: -71.360
bonds (distance) P-C4' energy: -71.770
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -53.110
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1647.290534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.290534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.290534 (E_RNA)
where:
Base-Base interactions energy: -1144.389
where: short stacking energy: -502.081
Base-Backbone interact. energy: -1.012
local terms energy: -501.889590
where:
bonds (distance) C4'-P energy: -86.715
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -106.088
flat angles P-C4'-P energy: -74.257
tors. eta vs tors. theta energy: -143.779
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1626.092683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.092683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.092683 (E_RNA)
where:
Base-Base interactions energy: -1126.078
where: short stacking energy: -495.740
Base-Backbone interact. energy: -2.872
local terms energy: -497.141756
where:
bonds (distance) C4'-P energy: -88.440
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -99.943
flat angles P-C4'-P energy: -82.272
tors. eta vs tors. theta energy: -142.674
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1454.468430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.468430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.468430 (E_RNA)
where:
Base-Base interactions energy: -984.715
where: short stacking energy: -426.842
Base-Backbone interact. energy: -1.585
local terms energy: -468.168519
where:
bonds (distance) C4'-P energy: -87.532
bonds (distance) P-C4' energy: -94.494
flat angles C4'-P-C4' energy: -101.361
flat angles P-C4'-P energy: -63.017
tors. eta vs tors. theta energy: -121.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1447.708764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.708764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.708764 (E_RNA)
where:
Base-Base interactions energy: -999.548
where: short stacking energy: -430.732
Base-Backbone interact. energy: 1.699
local terms energy: -449.860026
where:
bonds (distance) C4'-P energy: -82.527
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -99.552
flat angles P-C4'-P energy: -68.374
tors. eta vs tors. theta energy: -124.531
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: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1390.029859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.029859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.029859 (E_RNA)
where:
Base-Base interactions energy: -937.067
where: short stacking energy: -428.593
Base-Backbone interact. energy: -0.039
local terms energy: -452.924464
where:
bonds (distance) C4'-P energy: -76.392
bonds (distance) P-C4' energy: -90.145
flat angles C4'-P-C4' energy: -97.590
flat angles P-C4'-P energy: -52.254
tors. eta vs tors. theta energy: -136.544
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: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1264.185488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.185488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.185488 (E_RNA)
where:
Base-Base interactions energy: -851.931
where: short stacking energy: -387.668
Base-Backbone interact. energy: -2.519
local terms energy: -409.735152
where:
bonds (distance) C4'-P energy: -83.321
bonds (distance) P-C4' energy: -72.420
flat angles C4'-P-C4' energy: -80.247
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -104.728
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: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1255.445249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.445249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.445249 (E_RNA)
where:
Base-Base interactions energy: -872.762
where: short stacking energy: -344.310
Base-Backbone interact. energy: -3.280
local terms energy: -379.403697
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -75.474
flat angles C4'-P-C4' energy: -99.636
flat angles P-C4'-P energy: -41.494
tors. eta vs tors. theta energy: -83.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1010.376077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.376077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.376077 (E_RNA)
where:
Base-Base interactions energy: -661.763
where: short stacking energy: -307.826
Base-Backbone interact. energy: 0.306
local terms energy: -348.919307
where:
bonds (distance) C4'-P energy: -86.363
bonds (distance) P-C4' energy: -75.196
flat angles C4'-P-C4' energy: -77.230
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -67.557
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: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -779.475935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.475935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.475935 (E_RNA)
where:
Base-Base interactions energy: -513.837
where: short stacking energy: -226.319
Base-Backbone interact. energy: 0.210
local terms energy: -265.848307
where:
bonds (distance) C4'-P energy: -81.698
bonds (distance) P-C4' energy: -55.204
flat angles C4'-P-C4' energy: -73.834
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -34.577
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: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -641.647596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.647596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.647596 (E_RNA)
where:
Base-Base interactions energy: -346.791
where: short stacking energy: -174.212
Base-Backbone interact. energy: -2.677
local terms energy: -292.179787
where:
bonds (distance) C4'-P energy: -87.034
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -78.433
flat angles P-C4'-P energy: -52.794
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1663.776562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.776562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.776562 (E_RNA)
where:
Base-Base interactions energy: -1163.259
where: short stacking energy: -511.940
Base-Backbone interact. energy: -2.797
local terms energy: -497.720512
where:
bonds (distance) C4'-P energy: -91.165
bonds (distance) P-C4' energy: -91.882
flat angles C4'-P-C4' energy: -105.086
flat angles P-C4'-P energy: -71.350
tors. eta vs tors. theta energy: -138.238
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: 364
Temperature: 0.950000
Total energy: -1633.998337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.998337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.998337 (E_RNA)
where:
Base-Base interactions energy: -1121.923
where: short stacking energy: -491.621
Base-Backbone interact. energy: -1.642
local terms energy: -510.433592
where:
bonds (distance) C4'-P energy: -100.194
bonds (distance) P-C4' energy: -93.534
flat angles C4'-P-C4' energy: -105.838
flat angles P-C4'-P energy: -70.073
tors. eta vs tors. theta energy: -140.795
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1508.568456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.568456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.568456 (E_RNA)
where:
Base-Base interactions energy: -1046.330
where: short stacking energy: -465.819
Base-Backbone interact. energy: -1.318
local terms energy: -460.920782
where:
bonds (distance) C4'-P energy: -97.654
bonds (distance) P-C4' energy: -92.982
flat angles C4'-P-C4' energy: -95.091
flat angles P-C4'-P energy: -49.136
tors. eta vs tors. theta energy: -126.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1426.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.044519 (E_RNA)
where:
Base-Base interactions energy: -994.707
where: short stacking energy: -431.884
Base-Backbone interact. energy: -4.101
local terms energy: -427.236418
where:
bonds (distance) C4'-P energy: -78.860
bonds (distance) P-C4' energy: -78.682
flat angles C4'-P-C4' energy: -101.476
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -113.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1414.845634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.845634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.845634 (E_RNA)
where:
Base-Base interactions energy: -968.452
where: short stacking energy: -454.770
Base-Backbone interact. energy: -0.121
local terms energy: -446.273060
where:
bonds (distance) C4'-P energy: -74.556
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -102.260
flat angles P-C4'-P energy: -54.337
tors. eta vs tors. theta energy: -139.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1261.233827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.233827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.233827 (E_RNA)
where:
Base-Base interactions energy: -849.218
where: short stacking energy: -379.304
Base-Backbone interact. energy: -3.434
local terms energy: -408.581601
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -82.544
flat angles C4'-P-C4' energy: -84.504
flat angles P-C4'-P energy: -61.942
tors. eta vs tors. theta energy: -100.030
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1231.335279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.335279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.335279 (E_RNA)
where:
Base-Base interactions energy: -824.208
where: short stacking energy: -348.189
Base-Backbone interact. energy: 0.005
local terms energy: -407.133064
where:
bonds (distance) C4'-P energy: -73.853
bonds (distance) P-C4' energy: -79.066
flat angles C4'-P-C4' energy: -94.695
flat angles P-C4'-P energy: -66.456
tors. eta vs tors. theta energy: -93.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1019.876460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.876460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.876460 (E_RNA)
where:
Base-Base interactions energy: -654.429
where: short stacking energy: -294.961
Base-Backbone interact. energy: -2.388
local terms energy: -363.059282
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -59.275
tors. eta vs tors. theta energy: -53.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -666.618615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.618615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.618615 (E_RNA)
where:
Base-Base interactions energy: -374.475
where: short stacking energy: -201.842
Base-Backbone interact. energy: 2.889
local terms energy: -295.033205
where:
bonds (distance) C4'-P energy: -78.667
bonds (distance) P-C4' energy: -73.206
flat angles C4'-P-C4' energy: -71.658
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -27.843
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: 364
Temperature: 1.350000
Total energy: -697.117117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.117117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.117117 (E_RNA)
where:
Base-Base interactions energy: -392.626
where: short stacking energy: -181.577
Base-Backbone interact. energy: -3.120
local terms energy: -301.371839
where:
bonds (distance) C4'-P energy: -77.190
bonds (distance) P-C4' energy: -76.486
flat angles C4'-P-C4' energy: -70.390
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1675.866003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.866003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.866003 (E_RNA)
where:
Base-Base interactions energy: -1176.892
where: short stacking energy: -482.861
Base-Backbone interact. energy: -3.569
local terms energy: -495.404871
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -92.451
flat angles C4'-P-C4' energy: -95.478
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -138.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1625.941262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.941262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.941262 (E_RNA)
where:
Base-Base interactions energy: -1122.242
where: short stacking energy: -475.544
Base-Backbone interact. energy: -1.924
local terms energy: -501.775034
where:
bonds (distance) C4'-P energy: -91.143
bonds (distance) P-C4' energy: -88.617
flat angles C4'-P-C4' energy: -105.221
flat angles P-C4'-P energy: -75.970
tors. eta vs tors. theta energy: -140.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1494.095468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.095468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.095468 (E_RNA)
where:
Base-Base interactions energy: -1023.279
where: short stacking energy: -429.684
Base-Backbone interact. energy: -2.539
local terms energy: -468.277693
where:
bonds (distance) C4'-P energy: -90.514
bonds (distance) P-C4' energy: -89.286
flat angles C4'-P-C4' energy: -95.637
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -124.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1414.460445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.460445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.460445 (E_RNA)
where:
Base-Base interactions energy: -965.542
where: short stacking energy: -433.285
Base-Backbone interact. energy: -1.270
local terms energy: -447.648754
where:
bonds (distance) C4'-P energy: -90.870
bonds (distance) P-C4' energy: -83.208
flat angles C4'-P-C4' energy: -94.632
flat angles P-C4'-P energy: -70.446
tors. eta vs tors. theta energy: -108.493
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1368.785495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.785495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.785495 (E_RNA)
where:
Base-Base interactions energy: -932.096
where: short stacking energy: -429.886
Base-Backbone interact. energy: 0.114
local terms energy: -436.803633
where:
bonds (distance) C4'-P energy: -70.648
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -95.911
flat angles P-C4'-P energy: -66.870
tors. eta vs tors. theta energy: -108.221
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: 365
Temperature: 1.150000
Total energy: -1241.683688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.683688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.683688 (E_RNA)
where:
Base-Base interactions energy: -855.910
where: short stacking energy: -390.493
Base-Backbone interact. energy: 0.489
local terms energy: -386.263376
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -66.928
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -102.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1203.921090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.921090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.921090 (E_RNA)
where:
Base-Base interactions energy: -819.106
where: short stacking energy: -347.357
Base-Backbone interact. energy: 1.555
local terms energy: -386.370033
where:
bonds (distance) C4'-P energy: -67.565
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -77.927
flat angles P-C4'-P energy: -62.967
tors. eta vs tors. theta energy: -89.988
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: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1012.466633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.466633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.466633 (E_RNA)
where:
Base-Base interactions energy: -667.842
where: short stacking energy: -299.307
Base-Backbone interact. energy: 2.883
local terms energy: -347.507681
where:
bonds (distance) C4'-P energy: -59.791
bonds (distance) P-C4' energy: -91.626
flat angles C4'-P-C4' energy: -80.492
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -60.343
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: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -721.057740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.057740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.057740 (E_RNA)
where:
Base-Base interactions energy: -413.873
where: short stacking energy: -192.143
Base-Backbone interact. energy: 1.695
local terms energy: -308.879760
where:
bonds (distance) C4'-P energy: -87.333
bonds (distance) P-C4' energy: -81.036
flat angles C4'-P-C4' energy: -74.560
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -663.761932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.761932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.761932 (E_RNA)
where:
Base-Base interactions energy: -383.299
where: short stacking energy: -165.301
Base-Backbone interact. energy: -0.374
local terms energy: -280.089744
where:
bonds (distance) C4'-P energy: -79.282
bonds (distance) P-C4' energy: -70.962
flat angles C4'-P-C4' energy: -65.753
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1653.713766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.713766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.713766 (E_RNA)
where:
Base-Base interactions energy: -1130.480
where: short stacking energy: -484.680
Base-Backbone interact. energy: -4.142
local terms energy: -519.092337
where:
bonds (distance) C4'-P energy: -103.763
bonds (distance) P-C4' energy: -100.763
flat angles C4'-P-C4' energy: -101.776
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -144.344
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1610.842849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.842849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.842849 (E_RNA)
where:
Base-Base interactions energy: -1113.454
where: short stacking energy: -492.050
Base-Backbone interact. energy: -4.928
local terms energy: -492.461114
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -96.094
flat angles C4'-P-C4' energy: -104.999
flat angles P-C4'-P energy: -60.921
tors. eta vs tors. theta energy: -141.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1499.972886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.972886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.972886 (E_RNA)
where:
Base-Base interactions energy: -1036.247
where: short stacking energy: -416.331
Base-Backbone interact. energy: -1.022
local terms energy: -462.703811
where:
bonds (distance) C4'-P energy: -83.075
bonds (distance) P-C4' energy: -93.930
flat angles C4'-P-C4' energy: -97.011
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: -113.034
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: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1420.100193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.100193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.100193 (E_RNA)
where:
Base-Base interactions energy: -963.473
where: short stacking energy: -441.348
Base-Backbone interact. energy: 0.904
local terms energy: -457.531807
where:
bonds (distance) C4'-P energy: -87.560
bonds (distance) P-C4' energy: -90.235
flat angles C4'-P-C4' energy: -97.394
flat angles P-C4'-P energy: -61.110
tors. eta vs tors. theta energy: -121.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1407.872092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.872092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.872092 (E_RNA)
where:
Base-Base interactions energy: -972.809
where: short stacking energy: -432.760
Base-Backbone interact. energy: -3.042
local terms energy: -432.020526
where:
bonds (distance) C4'-P energy: -81.039
bonds (distance) P-C4' energy: -85.204
flat angles C4'-P-C4' energy: -87.760
flat angles P-C4'-P energy: -55.377
tors. eta vs tors. theta energy: -122.641
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: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1234.153979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.153979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.153979 (E_RNA)
where:
Base-Base interactions energy: -855.682
where: short stacking energy: -393.442
Base-Backbone interact. energy: 0.701
local terms energy: -379.172246
where:
bonds (distance) C4'-P energy: -71.610
bonds (distance) P-C4' energy: -75.317
flat angles C4'-P-C4' energy: -83.774
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -96.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1219.249901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.249901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.249901 (E_RNA)
where:
Base-Base interactions energy: -830.420
where: short stacking energy: -359.251
Base-Backbone interact. energy: -1.880
local terms energy: -386.949577
where:
bonds (distance) C4'-P energy: -81.641
bonds (distance) P-C4' energy: -75.383
flat angles C4'-P-C4' energy: -90.662
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -93.502
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: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -979.427549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.427549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.427549 (E_RNA)
where:
Base-Base interactions energy: -643.981
where: short stacking energy: -296.505
Base-Backbone interact. energy: -4.837
local terms energy: -330.609889
where:
bonds (distance) C4'-P energy: -62.028
bonds (distance) P-C4' energy: -84.221
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -64.809
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: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -746.955716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.955716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.955716 (E_RNA)
where:
Base-Base interactions energy: -426.977
where: short stacking energy: -217.144
Base-Backbone interact. energy: -4.608
local terms energy: -315.370084
where:
bonds (distance) C4'-P energy: -83.162
bonds (distance) P-C4' energy: -73.666
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -32.420
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: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -685.041796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.041796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.041796 (E_RNA)
where:
Base-Base interactions energy: -383.394
where: short stacking energy: -182.155
Base-Backbone interact. energy: 0.327
local terms energy: -301.974370
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -73.293
flat angles C4'-P-C4' energy: -67.365
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1625.086166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.086166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.086166 (E_RNA)
where:
Base-Base interactions energy: -1121.180
where: short stacking energy: -494.302
Base-Backbone interact. energy: -3.785
local terms energy: -500.121274
where:
bonds (distance) C4'-P energy: -89.464
bonds (distance) P-C4' energy: -90.335
flat angles C4'-P-C4' energy: -109.954
flat angles P-C4'-P energy: -72.072
tors. eta vs tors. theta energy: -138.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1641.039104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.039104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.039104 (E_RNA)
where:
Base-Base interactions energy: -1142.519
where: short stacking energy: -499.448
Base-Backbone interact. energy: -0.549
local terms energy: -497.970277
where:
bonds (distance) C4'-P energy: -89.576
bonds (distance) P-C4' energy: -95.392
flat angles C4'-P-C4' energy: -106.020
flat angles P-C4'-P energy: -64.929
tors. eta vs tors. theta energy: -142.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1522.064529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.064529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.064529 (E_RNA)
where:
Base-Base interactions energy: -1070.432
where: short stacking energy: -451.010
Base-Backbone interact. energy: -1.473
local terms energy: -450.159876
where:
bonds (distance) C4'-P energy: -78.496
bonds (distance) P-C4' energy: -83.114
flat angles C4'-P-C4' energy: -99.840
flat angles P-C4'-P energy: -57.461
tors. eta vs tors. theta energy: -131.249
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: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1427.550623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.550623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.550623 (E_RNA)
where:
Base-Base interactions energy: -1010.550
where: short stacking energy: -439.041
Base-Backbone interact. energy: -1.008
local terms energy: -415.992502
where:
bonds (distance) C4'-P energy: -61.002
bonds (distance) P-C4' energy: -89.018
flat angles C4'-P-C4' energy: -95.937
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -123.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1411.308424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.308424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.308424 (E_RNA)
where:
Base-Base interactions energy: -944.594
where: short stacking energy: -435.679
Base-Backbone interact. energy: -1.019
local terms energy: -465.695711
where:
bonds (distance) C4'-P energy: -84.134
bonds (distance) P-C4' energy: -83.526
flat angles C4'-P-C4' energy: -96.647
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -135.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1267.386315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.386315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.386315 (E_RNA)
where:
Base-Base interactions energy: -877.098
where: short stacking energy: -370.353
Base-Backbone interact. energy: -0.109
local terms energy: -390.179646
where:
bonds (distance) C4'-P energy: -74.338
bonds (distance) P-C4' energy: -79.429
flat angles C4'-P-C4' energy: -85.276
flat angles P-C4'-P energy: -60.293
tors. eta vs tors. theta energy: -90.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1203.894251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.894251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.894251 (E_RNA)
where:
Base-Base interactions energy: -810.349
where: short stacking energy: -380.094
Base-Backbone interact. energy: -0.759
local terms energy: -392.786594
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -75.204
flat angles C4'-P-C4' energy: -81.509
flat angles P-C4'-P energy: -52.159
tors. eta vs tors. theta energy: -102.154
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: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1007.367272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.367272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.367272 (E_RNA)
where:
Base-Base interactions energy: -662.253
where: short stacking energy: -317.110
Base-Backbone interact. energy: -2.331
local terms energy: -342.783125
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -75.216
flat angles C4'-P-C4' energy: -62.665
flat angles P-C4'-P energy: -65.293
tors. eta vs tors. theta energy: -68.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -771.409212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.409212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.409212 (E_RNA)
where:
Base-Base interactions energy: -480.187
where: short stacking energy: -259.575
Base-Backbone interact. energy: -0.603
local terms energy: -290.618937
where:
bonds (distance) C4'-P energy: -71.935
bonds (distance) P-C4' energy: -71.811
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: -40.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -714.013524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.013524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.013524 (E_RNA)
where:
Base-Base interactions energy: -431.684
where: short stacking energy: -208.683
Base-Backbone interact. energy: 0.234
local terms energy: -282.563577
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -64.091
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1676.951417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.951417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.951417 (E_RNA)
where:
Base-Base interactions energy: -1163.357
where: short stacking energy: -506.119
Base-Backbone interact. energy: -3.449
local terms energy: -510.145063
where:
bonds (distance) C4'-P energy: -102.791
bonds (distance) P-C4' energy: -100.911
flat angles C4'-P-C4' energy: -98.900
flat angles P-C4'-P energy: -70.472
tors. eta vs tors. theta energy: -137.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1604.550691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.550691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.550691 (E_RNA)
where:
Base-Base interactions energy: -1105.948
where: short stacking energy: -496.631
Base-Backbone interact. energy: -1.991
local terms energy: -496.611728
where:
bonds (distance) C4'-P energy: -84.292
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -97.194
flat angles P-C4'-P energy: -83.271
tors. eta vs tors. theta energy: -137.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1527.489143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.489143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.489143 (E_RNA)
where:
Base-Base interactions energy: -1056.308
where: short stacking energy: -468.679
Base-Backbone interact. energy: -0.212
local terms energy: -470.969601
where:
bonds (distance) C4'-P energy: -81.506
bonds (distance) P-C4' energy: -92.935
flat angles C4'-P-C4' energy: -91.702
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -139.912
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: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1412.653634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.653634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.653634 (E_RNA)
where:
Base-Base interactions energy: -961.593
where: short stacking energy: -427.063
Base-Backbone interact. energy: -1.511
local terms energy: -449.549558
where:
bonds (distance) C4'-P energy: -87.575
bonds (distance) P-C4' energy: -90.943
flat angles C4'-P-C4' energy: -93.673
flat angles P-C4'-P energy: -63.947
tors. eta vs tors. theta energy: -113.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1391.367213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.367213 (E_RNA)
where:
Base-Base interactions energy: -937.268
where: short stacking energy: -442.534
Base-Backbone interact. energy: -0.190
local terms energy: -453.908984
where:
bonds (distance) C4'-P energy: -91.059
bonds (distance) P-C4' energy: -74.491
flat angles C4'-P-C4' energy: -96.773
flat angles P-C4'-P energy: -60.514
tors. eta vs tors. theta energy: -131.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1312.546583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.546583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.546583 (E_RNA)
where:
Base-Base interactions energy: -918.092
where: short stacking energy: -372.791
Base-Backbone interact. energy: -3.484
local terms energy: -390.969867
where:
bonds (distance) C4'-P energy: -67.586
bonds (distance) P-C4' energy: -86.778
flat angles C4'-P-C4' energy: -86.084
flat angles P-C4'-P energy: -56.548
tors. eta vs tors. theta energy: -93.974
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: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1196.365059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.365059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.365059 (E_RNA)
where:
Base-Base interactions energy: -816.037
where: short stacking energy: -361.402
Base-Backbone interact. energy: -0.526
local terms energy: -379.802012
where:
bonds (distance) C4'-P energy: -75.963
bonds (distance) P-C4' energy: -66.555
flat angles C4'-P-C4' energy: -91.970
flat angles P-C4'-P energy: -53.577
tors. eta vs tors. theta energy: -91.736
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: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -960.665003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.665003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.665003 (E_RNA)
where:
Base-Base interactions energy: -623.832
where: short stacking energy: -277.221
Base-Backbone interact. energy: 4.341
local terms energy: -341.173861
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -85.083
flat angles P-C4'-P energy: -56.201
tors. eta vs tors. theta energy: -49.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -715.104878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.104878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.104878 (E_RNA)
where:
Base-Base interactions energy: -414.267
where: short stacking energy: -223.609
Base-Backbone interact. energy: 5.184
local terms energy: -306.022172
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -78.763
flat angles C4'-P-C4' energy: -90.557
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -39.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -727.395478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.395478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.395478 (E_RNA)
where:
Base-Base interactions energy: -440.448
where: short stacking energy: -214.469
Base-Backbone interact. energy: 0.172
local terms energy: -287.119949
where:
bonds (distance) C4'-P energy: -78.454
bonds (distance) P-C4' energy: -74.335
flat angles C4'-P-C4' energy: -69.168
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -21.498
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: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1660.694293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.694293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.694293 (E_RNA)
where:
Base-Base interactions energy: -1148.039
where: short stacking energy: -502.876
Base-Backbone interact. energy: -2.203
local terms energy: -510.453201
where:
bonds (distance) C4'-P energy: -96.273
bonds (distance) P-C4' energy: -92.411
flat angles C4'-P-C4' energy: -108.343
flat angles P-C4'-P energy: -74.733
tors. eta vs tors. theta energy: -138.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1595.220609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.220609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.220609 (E_RNA)
where:
Base-Base interactions energy: -1110.449
where: short stacking energy: -487.906
Base-Backbone interact. energy: -2.780
local terms energy: -481.991540
where:
bonds (distance) C4'-P energy: -88.814
bonds (distance) P-C4' energy: -89.548
flat angles C4'-P-C4' energy: -98.457
flat angles P-C4'-P energy: -72.257
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: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1521.088843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.088843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.088843 (E_RNA)
where:
Base-Base interactions energy: -1044.042
where: short stacking energy: -457.017
Base-Backbone interact. energy: -2.205
local terms energy: -474.842144
where:
bonds (distance) C4'-P energy: -85.987
bonds (distance) P-C4' energy: -87.913
flat angles C4'-P-C4' energy: -100.349
flat angles P-C4'-P energy: -69.319
tors. eta vs tors. theta energy: -131.274
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: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1470.355543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.355543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.355543 (E_RNA)
where:
Base-Base interactions energy: -1000.318
where: short stacking energy: -473.924
Base-Backbone interact. energy: -1.067
local terms energy: -468.970415
where:
bonds (distance) C4'-P energy: -75.625
bonds (distance) P-C4' energy: -88.572
flat angles C4'-P-C4' energy: -91.640
flat angles P-C4'-P energy: -68.793
tors. eta vs tors. theta energy: -144.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1400.091781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.091781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.091781 (E_RNA)
where:
Base-Base interactions energy: -954.457
where: short stacking energy: -441.787
Base-Backbone interact. energy: -2.139
local terms energy: -443.495500
where:
bonds (distance) C4'-P energy: -76.001
bonds (distance) P-C4' energy: -91.144
flat angles C4'-P-C4' energy: -87.636
flat angles P-C4'-P energy: -66.311
tors. eta vs tors. theta energy: -122.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1259.539266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.539266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.539266 (E_RNA)
where:
Base-Base interactions energy: -848.841
where: short stacking energy: -389.968
Base-Backbone interact. energy: -1.524
local terms energy: -409.173750
where:
bonds (distance) C4'-P energy: -88.460
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -85.108
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -96.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1192.694565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.694565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.694565 (E_RNA)
where:
Base-Base interactions energy: -812.874
where: short stacking energy: -357.672
Base-Backbone interact. energy: -4.315
local terms energy: -375.504901
where:
bonds (distance) C4'-P energy: -76.488
bonds (distance) P-C4' energy: -83.440
flat angles C4'-P-C4' energy: -82.394
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: -80.871
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: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -973.304131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.304131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.304131 (E_RNA)
where:
Base-Base interactions energy: -656.212
where: short stacking energy: -289.454
Base-Backbone interact. energy: -1.659
local terms energy: -315.433300
where:
bonds (distance) C4'-P energy: -59.317
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -59.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -746.419361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.419361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.419361 (E_RNA)
where:
Base-Base interactions energy: -421.063
where: short stacking energy: -218.828
Base-Backbone interact. energy: 1.284
local terms energy: -326.639658
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -83.640
flat angles C4'-P-C4' energy: -70.908
flat angles P-C4'-P energy: -50.744
tors. eta vs tors. theta energy: -41.278
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: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -653.363291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.363291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.363291 (E_RNA)
where:
Base-Base interactions energy: -388.217
where: short stacking energy: -201.286
Base-Backbone interact. energy: -2.702
local terms energy: -262.444441
where:
bonds (distance) C4'-P energy: -71.018
bonds (distance) P-C4' energy: -76.871
flat angles C4'-P-C4' energy: -54.194
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1670.693366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.693366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.693366 (E_RNA)
where:
Base-Base interactions energy: -1152.101
where: short stacking energy: -511.483
Base-Backbone interact. energy: -3.688
local terms energy: -514.904945
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -98.587
flat angles C4'-P-C4' energy: -103.641
flat angles P-C4'-P energy: -78.910
tors. eta vs tors. theta energy: -144.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1617.435687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.435687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.435687 (E_RNA)
where:
Base-Base interactions energy: -1121.708
where: short stacking energy: -484.366
Base-Backbone interact. energy: -0.392
local terms energy: -495.335099
where:
bonds (distance) C4'-P energy: -80.096
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -105.513
flat angles P-C4'-P energy: -70.053
tors. eta vs tors. theta energy: -144.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1521.768883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.768883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.768883 (E_RNA)
where:
Base-Base interactions energy: -1058.483
where: short stacking energy: -455.988
Base-Backbone interact. energy: 0.901
local terms energy: -464.186464
where:
bonds (distance) C4'-P energy: -87.841
bonds (distance) P-C4' energy: -87.750
flat angles C4'-P-C4' energy: -97.662
flat angles P-C4'-P energy: -66.566
tors. eta vs tors. theta energy: -124.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1448.668182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.668182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.668182 (E_RNA)
where:
Base-Base interactions energy: -974.249
where: short stacking energy: -441.748
Base-Backbone interact. energy: -1.592
local terms energy: -472.826784
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -103.458
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: -137.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1382.926745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.926745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.926745 (E_RNA)
where:
Base-Base interactions energy: -935.835
where: short stacking energy: -417.415
Base-Backbone interact. energy: -1.325
local terms energy: -445.767297
where:
bonds (distance) C4'-P energy: -78.324
bonds (distance) P-C4' energy: -87.246
flat angles C4'-P-C4' energy: -97.777
flat angles P-C4'-P energy: -62.354
tors. eta vs tors. theta energy: -120.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1259.546899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.546899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.546899 (E_RNA)
where:
Base-Base interactions energy: -862.885
where: short stacking energy: -343.599
Base-Backbone interact. energy: 2.385
local terms energy: -399.046900
where:
bonds (distance) C4'-P energy: -82.848
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -87.038
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -88.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1194.116928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.116928 (E_RNA)
where:
Base-Base interactions energy: -819.617
where: short stacking energy: -346.340
Base-Backbone interact. energy: -1.017
local terms energy: -373.482526
where:
bonds (distance) C4'-P energy: -64.865
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -85.900
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -88.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1012.509939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.509939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.509939 (E_RNA)
where:
Base-Base interactions energy: -667.777
where: short stacking energy: -300.857
Base-Backbone interact. energy: -1.275
local terms energy: -343.457863
where:
bonds (distance) C4'-P energy: -72.539
bonds (distance) P-C4' energy: -75.941
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -68.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -747.520958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.520958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.520958 (E_RNA)
where:
Base-Base interactions energy: -443.767
where: short stacking energy: -229.810
Base-Backbone interact. energy: -0.468
local terms energy: -303.285209
where:
bonds (distance) C4'-P energy: -68.494
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -43.365
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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -697.901028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.901028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.901028 (E_RNA)
where:
Base-Base interactions energy: -422.534
where: short stacking energy: -213.756
Base-Backbone interact. energy: -1.429
local terms energy: -273.937310
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -80.460
flat angles C4'-P-C4' energy: -73.604
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -20.113
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: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1688.313396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.313396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.313396 (E_RNA)
where:
Base-Base interactions energy: -1182.975
where: short stacking energy: -517.829
Base-Backbone interact. energy: -1.903
local terms energy: -503.435629
where:
bonds (distance) C4'-P energy: -86.059
bonds (distance) P-C4' energy: -87.448
flat angles C4'-P-C4' energy: -107.574
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -147.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1589.878737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.878737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.878737 (E_RNA)
where:
Base-Base interactions energy: -1109.631
where: short stacking energy: -495.232
Base-Backbone interact. energy: -2.296
local terms energy: -477.951118
where:
bonds (distance) C4'-P energy: -78.763
bonds (distance) P-C4' energy: -82.239
flat angles C4'-P-C4' energy: -100.541
flat angles P-C4'-P energy: -70.963
tors. eta vs tors. theta energy: -145.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1531.460759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.460759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.460759 (E_RNA)
where:
Base-Base interactions energy: -1058.295
where: short stacking energy: -467.767
Base-Backbone interact. energy: -3.006
local terms energy: -470.159611
where:
bonds (distance) C4'-P energy: -85.502
bonds (distance) P-C4' energy: -81.735
flat angles C4'-P-C4' energy: -103.582
flat angles P-C4'-P energy: -70.400
tors. eta vs tors. theta energy: -128.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1456.833713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.833713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.833713 (E_RNA)
where:
Base-Base interactions energy: -1009.770
where: short stacking energy: -463.798
Base-Backbone interact. energy: -2.629
local terms energy: -444.434255
where:
bonds (distance) C4'-P energy: -86.696
bonds (distance) P-C4' energy: -86.468
flat angles C4'-P-C4' energy: -87.391
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -128.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1344.498421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.498421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.498421 (E_RNA)
where:
Base-Base interactions energy: -926.647
where: short stacking energy: -411.054
Base-Backbone interact. energy: -1.314
local terms energy: -416.536590
where:
bonds (distance) C4'-P energy: -80.262
bonds (distance) P-C4' energy: -88.762
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -109.884
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: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1274.416681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.416681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.416681 (E_RNA)
where:
Base-Base interactions energy: -886.660
where: short stacking energy: -347.852
Base-Backbone interact. energy: 1.739
local terms energy: -389.496248
where:
bonds (distance) C4'-P energy: -88.322
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -90.924
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -89.943
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: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1176.463048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.463048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.463048 (E_RNA)
where:
Base-Base interactions energy: -803.659
where: short stacking energy: -355.735
Base-Backbone interact. energy: -1.001
local terms energy: -371.803189
where:
bonds (distance) C4'-P energy: -66.513
bonds (distance) P-C4' energy: -83.132
flat angles C4'-P-C4' energy: -86.366
flat angles P-C4'-P energy: -48.755
tors. eta vs tors. theta energy: -87.036
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: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1028.885014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.885014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.885014 (E_RNA)
where:
Base-Base interactions energy: -690.221
where: short stacking energy: -313.165
Base-Backbone interact. energy: -0.305
local terms energy: -338.358216
where:
bonds (distance) C4'-P energy: -81.470
bonds (distance) P-C4' energy: -69.837
flat angles C4'-P-C4' energy: -74.038
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -733.220758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.220758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.220758 (E_RNA)
where:
Base-Base interactions energy: -426.439
where: short stacking energy: -196.379
Base-Backbone interact. energy: 0.125
local terms energy: -306.906837
where:
bonds (distance) C4'-P energy: -72.653
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -81.531
flat angles P-C4'-P energy: -44.326
tors. eta vs tors. theta energy: -35.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -689.980873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.980873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.980873 (E_RNA)
where:
Base-Base interactions energy: -441.301
where: short stacking energy: -206.419
Base-Backbone interact. energy: 2.048
local terms energy: -250.728652
where:
bonds (distance) C4'-P energy: -76.770
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1696.063239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.063239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.063239 (E_RNA)
where:
Base-Base interactions energy: -1184.254
where: short stacking energy: -513.329
Base-Backbone interact. energy: -0.249
local terms energy: -511.560151
where:
bonds (distance) C4'-P energy: -93.352
bonds (distance) P-C4' energy: -96.080
flat angles C4'-P-C4' energy: -104.694
flat angles P-C4'-P energy: -71.830
tors. eta vs tors. theta energy: -145.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1587.261003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.261003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.261003 (E_RNA)
where:
Base-Base interactions energy: -1079.179
where: short stacking energy: -494.175
Base-Backbone interact. energy: -0.469
local terms energy: -507.612970
where:
bonds (distance) C4'-P energy: -85.587
bonds (distance) P-C4' energy: -102.011
flat angles C4'-P-C4' energy: -110.136
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -142.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1501.154328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.154328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.154328 (E_RNA)
where:
Base-Base interactions energy: -1031.324
where: short stacking energy: -438.644
Base-Backbone interact. energy: 0.625
local terms energy: -470.455452
where:
bonds (distance) C4'-P energy: -83.997
bonds (distance) P-C4' energy: -83.279
flat angles C4'-P-C4' energy: -104.827
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -124.008
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1503.239622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.239622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.239622 (E_RNA)
where:
Base-Base interactions energy: -1027.567
where: short stacking energy: -477.632
Base-Backbone interact. energy: -0.622
local terms energy: -475.050882
where:
bonds (distance) C4'-P energy: -88.855
bonds (distance) P-C4' energy: -86.069
flat angles C4'-P-C4' energy: -98.984
flat angles P-C4'-P energy: -58.414
tors. eta vs tors. theta energy: -142.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1356.926917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.926917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.926917 (E_RNA)
where:
Base-Base interactions energy: -930.815
where: short stacking energy: -402.717
Base-Backbone interact. energy: -0.744
local terms energy: -425.367910
where:
bonds (distance) C4'-P energy: -81.420
bonds (distance) P-C4' energy: -88.730
flat angles C4'-P-C4' energy: -93.215
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: -105.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1274.763338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.763338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.763338 (E_RNA)
where:
Base-Base interactions energy: -878.476
where: short stacking energy: -375.224
Base-Backbone interact. energy: -1.745
local terms energy: -394.542466
where:
bonds (distance) C4'-P energy: -76.332
bonds (distance) P-C4' energy: -70.164
flat angles C4'-P-C4' energy: -90.433
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -98.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1172.681389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.681389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.681389 (E_RNA)
where:
Base-Base interactions energy: -778.425
where: short stacking energy: -349.326
Base-Backbone interact. energy: -1.954
local terms energy: -392.302643
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -93.691
flat angles C4'-P-C4' energy: -89.999
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -78.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1009.056871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.056871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.056871 (E_RNA)
where:
Base-Base interactions energy: -649.667
where: short stacking energy: -301.857
Base-Backbone interact. energy: -1.356
local terms energy: -358.033920
where:
bonds (distance) C4'-P energy: -78.315
bonds (distance) P-C4' energy: -70.731
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -53.955
tors. eta vs tors. theta energy: -66.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -794.306639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.306639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.306639 (E_RNA)
where:
Base-Base interactions energy: -454.369
where: short stacking energy: -224.886
Base-Backbone interact. energy: -1.772
local terms energy: -338.165716
where:
bonds (distance) C4'-P energy: -83.613
bonds (distance) P-C4' energy: -72.672
flat angles C4'-P-C4' energy: -81.051
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -38.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -668.586146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.586146 (E_RNA)
where:
Base-Base interactions energy: -392.102
where: short stacking energy: -190.169
Base-Backbone interact. energy: 1.702
local terms energy: -278.186300
where:
bonds (distance) C4'-P energy: -76.890
bonds (distance) P-C4' energy: -77.808
flat angles C4'-P-C4' energy: -80.887
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1717.613965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.613965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.613965 (E_RNA)
where:
Base-Base interactions energy: -1202.954
where: short stacking energy: -507.934
Base-Backbone interact. energy: -0.642
local terms energy: -514.017330
where:
bonds (distance) C4'-P energy: -100.805
bonds (distance) P-C4' energy: -94.541
flat angles C4'-P-C4' energy: -107.008
flat angles P-C4'-P energy: -76.172
tors. eta vs tors. theta energy: -135.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1605.597723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.597723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.597723 (E_RNA)
where:
Base-Base interactions energy: -1108.055
where: short stacking energy: -516.695
Base-Backbone interact. energy: -2.460
local terms energy: -495.081937
where:
bonds (distance) C4'-P energy: -85.944
bonds (distance) P-C4' energy: -80.918
flat angles C4'-P-C4' energy: -103.261
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -154.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1517.368472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.368472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.368472 (E_RNA)
where:
Base-Base interactions energy: -1044.741
where: short stacking energy: -464.716
Base-Backbone interact. energy: 0.051
local terms energy: -472.679106
where:
bonds (distance) C4'-P energy: -85.166
bonds (distance) P-C4' energy: -83.439
flat angles C4'-P-C4' energy: -103.449
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -135.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1476.892816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.892816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.892816 (E_RNA)
where:
Base-Base interactions energy: -987.466
where: short stacking energy: -438.411
Base-Backbone interact. energy: -3.118
local terms energy: -486.308311
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -82.499
flat angles C4'-P-C4' energy: -89.747
flat angles P-C4'-P energy: -75.274
tors. eta vs tors. theta energy: -138.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1384.680487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.680487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.680487 (E_RNA)
where:
Base-Base interactions energy: -937.849
where: short stacking energy: -413.907
Base-Backbone interact. energy: -0.601
local terms energy: -446.230179
where:
bonds (distance) C4'-P energy: -86.165
bonds (distance) P-C4' energy: -88.517
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -64.154
tors. eta vs tors. theta energy: -113.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1254.084187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.084187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.084187 (E_RNA)
where:
Base-Base interactions energy: -859.917
where: short stacking energy: -358.255
Base-Backbone interact. energy: 0.393
local terms energy: -394.559917
where:
bonds (distance) C4'-P energy: -78.308
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -93.509
flat angles P-C4'-P energy: -48.855
tors. eta vs tors. theta energy: -94.470
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: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1188.481442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.481442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.481442 (E_RNA)
where:
Base-Base interactions energy: -811.326
where: short stacking energy: -356.339
Base-Backbone interact. energy: -1.208
local terms energy: -375.947619
where:
bonds (distance) C4'-P energy: -58.770
bonds (distance) P-C4' energy: -90.337
flat angles C4'-P-C4' energy: -89.847
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -80.330
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: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1029.789549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.789549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.789549 (E_RNA)
where:
Base-Base interactions energy: -683.889
where: short stacking energy: -303.790
Base-Backbone interact. energy: -1.370
local terms energy: -344.531308
where:
bonds (distance) C4'-P energy: -68.288
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -78.741
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -62.238
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: 373
Temperature: 1.300000
Total energy: -730.736984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.736984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.736984 (E_RNA)
where:
Base-Base interactions energy: -423.459
where: short stacking energy: -203.922
Base-Backbone interact. energy: 1.915
local terms energy: -309.193272
where:
bonds (distance) C4'-P energy: -71.100
bonds (distance) P-C4' energy: -71.958
flat angles C4'-P-C4' energy: -81.142
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -39.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -697.718985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.718985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.718985 (E_RNA)
where:
Base-Base interactions energy: -437.391
where: short stacking energy: -221.612
Base-Backbone interact. energy: -0.258
local terms energy: -260.070105
where:
bonds (distance) C4'-P energy: -78.942
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -57.239
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -19.988
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: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1690.933348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.933348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.933348 (E_RNA)
where:
Base-Base interactions energy: -1168.243
where: short stacking energy: -518.740
Base-Backbone interact. energy: 0.650
local terms energy: -523.340881
where:
bonds (distance) C4'-P energy: -102.964
bonds (distance) P-C4' energy: -95.119
flat angles C4'-P-C4' energy: -107.253
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -140.518
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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1592.573280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.573280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.573280 (E_RNA)
where:
Base-Base interactions energy: -1081.312
where: short stacking energy: -503.169
Base-Backbone interact. energy: -2.843
local terms energy: -508.418445
where:
bonds (distance) C4'-P energy: -92.730
bonds (distance) P-C4' energy: -82.951
flat angles C4'-P-C4' energy: -106.596
flat angles P-C4'-P energy: -76.152
tors. eta vs tors. theta energy: -149.989
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: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1537.631676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.631676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.631676 (E_RNA)
where:
Base-Base interactions energy: -1053.431
where: short stacking energy: -469.205
Base-Backbone interact. energy: -0.768
local terms energy: -483.432991
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -92.833
flat angles C4'-P-C4' energy: -104.711
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -140.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1516.387042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.387042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.387042 (E_RNA)
where:
Base-Base interactions energy: -1064.105
where: short stacking energy: -452.473
Base-Backbone interact. energy: -1.325
local terms energy: -450.957210
where:
bonds (distance) C4'-P energy: -76.306
bonds (distance) P-C4' energy: -82.437
flat angles C4'-P-C4' energy: -98.862
flat angles P-C4'-P energy: -61.795
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: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1359.368919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.368919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.368919 (E_RNA)
where:
Base-Base interactions energy: -899.652
where: short stacking energy: -421.978
Base-Backbone interact. energy: -2.676
local terms energy: -457.041383
where:
bonds (distance) C4'-P energy: -89.407
bonds (distance) P-C4' energy: -87.313
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -113.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1193.649996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.649996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.649996 (E_RNA)
where:
Base-Base interactions energy: -821.657
where: short stacking energy: -336.336
Base-Backbone interact. energy: 3.023
local terms energy: -375.015821
where:
bonds (distance) C4'-P energy: -77.256
bonds (distance) P-C4' energy: -85.443
flat angles C4'-P-C4' energy: -82.269
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -77.348
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: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1191.122469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.122469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.122469 (E_RNA)
where:
Base-Base interactions energy: -823.600
where: short stacking energy: -360.171
Base-Backbone interact. energy: 1.429
local terms energy: -368.951766
where:
bonds (distance) C4'-P energy: -71.461
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -81.928
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -82.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1019.074554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.074554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.074554 (E_RNA)
where:
Base-Base interactions energy: -674.940
where: short stacking energy: -292.692
Base-Backbone interact. energy: 0.608
local terms energy: -344.742992
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -71.924
flat angles P-C4'-P energy: -61.145
tors. eta vs tors. theta energy: -46.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -769.361927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.361927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.361927 (E_RNA)
where:
Base-Base interactions energy: -459.241
where: short stacking energy: -231.517
Base-Backbone interact. energy: -0.210
local terms energy: -309.910916
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -88.529
flat angles C4'-P-C4' energy: -73.875
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -35.913
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: 374
Temperature: 1.350000
Total energy: -771.899308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.899308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.899308 (E_RNA)
where:
Base-Base interactions energy: -482.384
where: short stacking energy: -234.443
Base-Backbone interact. energy: 0.725
local terms energy: -290.240803
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -80.877
flat angles C4'-P-C4' energy: -71.064
flat angles P-C4'-P energy: -42.703
tors. eta vs tors. theta energy: -34.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1682.609660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.609660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.609660 (E_RNA)
where:
Base-Base interactions energy: -1172.616
where: short stacking energy: -504.316
Base-Backbone interact. energy: -2.618
local terms energy: -507.375218
where:
bonds (distance) C4'-P energy: -86.915
bonds (distance) P-C4' energy: -95.189
flat angles C4'-P-C4' energy: -109.445
flat angles P-C4'-P energy: -72.185
tors. eta vs tors. theta energy: -143.642
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: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1573.348296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.348296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.348296 (E_RNA)
where:
Base-Base interactions energy: -1075.476
where: short stacking energy: -477.504
Base-Backbone interact. energy: -0.495
local terms energy: -497.377327
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -91.230
flat angles C4'-P-C4' energy: -101.793
flat angles P-C4'-P energy: -78.788
tors. eta vs tors. theta energy: -133.465
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: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1513.819778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.819778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.819778 (E_RNA)
where:
Base-Base interactions energy: -1035.059
where: short stacking energy: -470.670
Base-Backbone interact. energy: -2.993
local terms energy: -475.767981
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -81.529
flat angles C4'-P-C4' energy: -90.056
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -148.257
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1501.373347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.373347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.373347 (E_RNA)
where:
Base-Base interactions energy: -1036.956
where: short stacking energy: -452.537
Base-Backbone interact. energy: -3.079
local terms energy: -461.338788
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -99.971
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -134.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1381.978246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.978246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.978246 (E_RNA)
where:
Base-Base interactions energy: -947.258
where: short stacking energy: -413.989
Base-Backbone interact. energy: -0.569
local terms energy: -434.150827
where:
bonds (distance) C4'-P energy: -70.439
bonds (distance) P-C4' energy: -86.255
flat angles C4'-P-C4' energy: -100.962
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -119.609
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1246.638419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.638419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.638419 (E_RNA)
where:
Base-Base interactions energy: -859.567
where: short stacking energy: -363.304
Base-Backbone interact. energy: -3.107
local terms energy: -383.964203
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -77.967
flat angles C4'-P-C4' energy: -82.368
flat angles P-C4'-P energy: -57.334
tors. eta vs tors. theta energy: -93.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1282.205998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.205998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.205998 (E_RNA)
where:
Base-Base interactions energy: -881.995
where: short stacking energy: -398.810
Base-Backbone interact. energy: 0.253
local terms energy: -400.463466
where:
bonds (distance) C4'-P energy: -73.616
bonds (distance) P-C4' energy: -80.637
flat angles C4'-P-C4' energy: -83.503
flat angles P-C4'-P energy: -63.329
tors. eta vs tors. theta energy: -99.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1043.619408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.619408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.619408 (E_RNA)
where:
Base-Base interactions energy: -689.320
where: short stacking energy: -314.734
Base-Backbone interact. energy: -1.248
local terms energy: -353.051557
where:
bonds (distance) C4'-P energy: -89.252
bonds (distance) P-C4' energy: -77.441
flat angles C4'-P-C4' energy: -54.666
flat angles P-C4'-P energy: -59.756
tors. eta vs tors. theta energy: -71.936
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: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -785.349725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.349725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.349725 (E_RNA)
where:
Base-Base interactions energy: -496.530
where: short stacking energy: -221.989
Base-Backbone interact. energy: 2.954
local terms energy: -291.772940
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -74.179
flat angles C4'-P-C4' energy: -73.742
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -765.663788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.663788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.663788 (E_RNA)
where:
Base-Base interactions energy: -464.541
where: short stacking energy: -224.153
Base-Backbone interact. energy: -0.108
local terms energy: -301.015091
where:
bonds (distance) C4'-P energy: -74.683
bonds (distance) P-C4' energy: -78.961
flat angles C4'-P-C4' energy: -77.222
flat angles P-C4'-P energy: -35.643
tors. eta vs tors. theta energy: -34.506
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: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1697.222917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.222917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.222917 (E_RNA)
where:
Base-Base interactions energy: -1187.562
where: short stacking energy: -516.331
Base-Backbone interact. energy: -3.985
local terms energy: -505.676423
where:
bonds (distance) C4'-P energy: -96.297
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -102.551
flat angles P-C4'-P energy: -63.196
tors. eta vs tors. theta energy: -149.857
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: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1598.028180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.028180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.028180 (E_RNA)
where:
Base-Base interactions energy: -1110.318
where: short stacking energy: -490.154
Base-Backbone interact. energy: -3.618
local terms energy: -484.092124
where:
bonds (distance) C4'-P energy: -90.969
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -98.022
flat angles P-C4'-P energy: -60.670
tors. eta vs tors. theta energy: -141.108
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1512.357725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.357725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.357725 (E_RNA)
where:
Base-Base interactions energy: -1035.851
where: short stacking energy: -480.552
Base-Backbone interact. energy: -1.627
local terms energy: -474.879580
where:
bonds (distance) C4'-P energy: -87.547
bonds (distance) P-C4' energy: -91.188
flat angles C4'-P-C4' energy: -93.977
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -149.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1494.369481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.369481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.369481 (E_RNA)
where:
Base-Base interactions energy: -1045.387
where: short stacking energy: -437.088
Base-Backbone interact. energy: -0.285
local terms energy: -448.697049
where:
bonds (distance) C4'-P energy: -100.388
bonds (distance) P-C4' energy: -89.475
flat angles C4'-P-C4' energy: -89.177
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -123.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1396.017889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.017889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.017889 (E_RNA)
where:
Base-Base interactions energy: -955.414
where: short stacking energy: -410.845
Base-Backbone interact. energy: -1.927
local terms energy: -438.676722
where:
bonds (distance) C4'-P energy: -89.142
bonds (distance) P-C4' energy: -80.811
flat angles C4'-P-C4' energy: -80.059
flat angles P-C4'-P energy: -70.266
tors. eta vs tors. theta energy: -118.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1320.543709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.543709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.543709 (E_RNA)
where:
Base-Base interactions energy: -923.294
where: short stacking energy: -386.494
Base-Backbone interact. energy: -1.153
local terms energy: -396.096712
where:
bonds (distance) C4'-P energy: -83.330
bonds (distance) P-C4' energy: -76.338
flat angles C4'-P-C4' energy: -90.266
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -102.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1200.062499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.062499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.062499 (E_RNA)
where:
Base-Base interactions energy: -827.941
where: short stacking energy: -365.738
Base-Backbone interact. energy: 0.003
local terms energy: -372.124385
where:
bonds (distance) C4'-P energy: -63.304
bonds (distance) P-C4' energy: -87.790
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -87.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1055.222801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.222801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.222801 (E_RNA)
where:
Base-Base interactions energy: -718.879
where: short stacking energy: -333.747
Base-Backbone interact. energy: -0.566
local terms energy: -335.778149
where:
bonds (distance) C4'-P energy: -62.515
bonds (distance) P-C4' energy: -80.397
flat angles C4'-P-C4' energy: -82.329
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -755.579637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.579637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.579637 (E_RNA)
where:
Base-Base interactions energy: -446.661
where: short stacking energy: -215.893
Base-Backbone interact. energy: -2.615
local terms energy: -306.304542
where:
bonds (distance) C4'-P energy: -69.140
bonds (distance) P-C4' energy: -71.967
flat angles C4'-P-C4' energy: -90.122
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -35.694
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: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -707.442525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.442525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.442525 (E_RNA)
where:
Base-Base interactions energy: -428.565
where: short stacking energy: -203.842
Base-Backbone interact. energy: 4.911
local terms energy: -283.788526
where:
bonds (distance) C4'-P energy: -82.085
bonds (distance) P-C4' energy: -74.301
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -30.861
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1701.492716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.492716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.492716 (E_RNA)
where:
Base-Base interactions energy: -1180.085
where: short stacking energy: -510.088
Base-Backbone interact. energy: -3.574
local terms energy: -517.833966
where:
bonds (distance) C4'-P energy: -88.410
bonds (distance) P-C4' energy: -100.910
flat angles C4'-P-C4' energy: -114.889
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -146.462
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1575.653235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.653235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.653235 (E_RNA)
where:
Base-Base interactions energy: -1087.475
where: short stacking energy: -465.731
Base-Backbone interact. energy: -0.180
local terms energy: -487.998577
where:
bonds (distance) C4'-P energy: -93.117
bonds (distance) P-C4' energy: -88.978
flat angles C4'-P-C4' energy: -100.164
flat angles P-C4'-P energy: -70.912
tors. eta vs tors. theta energy: -134.828
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: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1504.742338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.742338 (E_RNA)
where:
Base-Base interactions energy: -1042.050
where: short stacking energy: -466.612
Base-Backbone interact. energy: 0.300
local terms energy: -462.992493
where:
bonds (distance) C4'-P energy: -79.484
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -98.350
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -134.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1467.119529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.119529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.119529 (E_RNA)
where:
Base-Base interactions energy: -1013.581
where: short stacking energy: -425.128
Base-Backbone interact. energy: -1.766
local terms energy: -451.772522
where:
bonds (distance) C4'-P energy: -86.711
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -127.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1404.053203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.053203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.053203 (E_RNA)
where:
Base-Base interactions energy: -939.786
where: short stacking energy: -438.670
Base-Backbone interact. energy: -0.260
local terms energy: -464.006973
where:
bonds (distance) C4'-P energy: -97.915
bonds (distance) P-C4' energy: -87.542
flat angles C4'-P-C4' energy: -91.466
flat angles P-C4'-P energy: -62.356
tors. eta vs tors. theta energy: -124.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1252.975876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.975876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.975876 (E_RNA)
where:
Base-Base interactions energy: -853.455
where: short stacking energy: -349.068
Base-Backbone interact. energy: 1.919
local terms energy: -401.439793
where:
bonds (distance) C4'-P energy: -78.515
bonds (distance) P-C4' energy: -81.223
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -57.198
tors. eta vs tors. theta energy: -89.778
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: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1192.566183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.566183 (E_RNA)
where:
Base-Base interactions energy: -794.151
where: short stacking energy: -349.318
Base-Backbone interact. energy: 0.332
local terms energy: -398.746569
where:
bonds (distance) C4'-P energy: -73.894
bonds (distance) P-C4' energy: -78.464
flat angles C4'-P-C4' energy: -91.317
flat angles P-C4'-P energy: -59.361
tors. eta vs tors. theta energy: -95.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1037.467642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.467642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.467642 (E_RNA)
where:
Base-Base interactions energy: -707.113
where: short stacking energy: -292.040
Base-Backbone interact. energy: 0.534
local terms energy: -330.888574
where:
bonds (distance) C4'-P energy: -62.529
bonds (distance) P-C4' energy: -69.985
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -68.070
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: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -743.779757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.779757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.779757 (E_RNA)
where:
Base-Base interactions energy: -450.535
where: short stacking energy: -237.213
Base-Backbone interact. energy: -1.196
local terms energy: -292.049231
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -74.761
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -33.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -714.063129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.063129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.063129 (E_RNA)
where:
Base-Base interactions energy: -409.446
where: short stacking energy: -202.445
Base-Backbone interact. energy: 0.455
local terms energy: -305.072640
where:
bonds (distance) C4'-P energy: -62.596
bonds (distance) P-C4' energy: -88.400
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -44.570
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: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1707.905733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.905733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.905733 (E_RNA)
where:
Base-Base interactions energy: -1181.496
where: short stacking energy: -524.210
Base-Backbone interact. energy: -2.690
local terms energy: -523.719735
where:
bonds (distance) C4'-P energy: -96.926
bonds (distance) P-C4' energy: -98.670
flat angles C4'-P-C4' energy: -107.548
flat angles P-C4'-P energy: -71.291
tors. eta vs tors. theta energy: -149.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1611.711266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.711266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.711266 (E_RNA)
where:
Base-Base interactions energy: -1109.270
where: short stacking energy: -487.704
Base-Backbone interact. energy: -5.250
local terms energy: -497.190765
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -100.140
flat angles C4'-P-C4' energy: -103.838
flat angles P-C4'-P energy: -62.382
tors. eta vs tors. theta energy: -145.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1516.157104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.157104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.157104 (E_RNA)
where:
Base-Base interactions energy: -1039.557
where: short stacking energy: -466.058
Base-Backbone interact. energy: -1.621
local terms energy: -474.979328
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -90.959
flat angles C4'-P-C4' energy: -91.129
flat angles P-C4'-P energy: -66.877
tors. eta vs tors. theta energy: -139.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1487.820473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.820473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.820473 (E_RNA)
where:
Base-Base interactions energy: -1031.528
where: short stacking energy: -456.033
Base-Backbone interact. energy: -0.722
local terms energy: -455.569827
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -93.871
flat angles P-C4'-P energy: -60.854
tors. eta vs tors. theta energy: -136.027
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: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1411.891956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.891956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.891956 (E_RNA)
where:
Base-Base interactions energy: -963.871
where: short stacking energy: -419.970
Base-Backbone interact. energy: -3.160
local terms energy: -444.861185
where:
bonds (distance) C4'-P energy: -86.964
bonds (distance) P-C4' energy: -78.387
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -125.138
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: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1279.757421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.757421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.757421 (E_RNA)
where:
Base-Base interactions energy: -877.596
where: short stacking energy: -364.994
Base-Backbone interact. energy: -0.791
local terms energy: -401.370630
where:
bonds (distance) C4'-P energy: -74.195
bonds (distance) P-C4' energy: -72.313
flat angles C4'-P-C4' energy: -98.400
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -96.095
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: 378
Temperature: 1.200000
Total energy: -1215.494264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.494264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.494264 (E_RNA)
where:
Base-Base interactions energy: -822.407
where: short stacking energy: -366.337
Base-Backbone interact. energy: -0.935
local terms energy: -392.152318
where:
bonds (distance) C4'-P energy: -65.929
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -95.510
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -92.623
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -999.787362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.787362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.787362 (E_RNA)
where:
Base-Base interactions energy: -662.244
where: short stacking energy: -282.304
Base-Backbone interact. energy: -0.766
local terms energy: -336.777301
where:
bonds (distance) C4'-P energy: -74.953
bonds (distance) P-C4' energy: -80.678
flat angles C4'-P-C4' energy: -86.605
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -53.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -731.229698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.229698 (E_RNA)
where:
Base-Base interactions energy: -414.311
where: short stacking energy: -191.465
Base-Backbone interact. energy: -2.961
local terms energy: -313.956955
where:
bonds (distance) C4'-P energy: -74.565
bonds (distance) P-C4' energy: -80.219
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -31.930
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: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -663.746238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.746238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.746238 (E_RNA)
where:
Base-Base interactions energy: -392.636
where: short stacking energy: -191.919
Base-Backbone interact. energy: -2.723
local terms energy: -268.386572
where:
bonds (distance) C4'-P energy: -73.840
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -16.801
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1702.815574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.815574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.815574 (E_RNA)
where:
Base-Base interactions energy: -1183.668
where: short stacking energy: -528.830
Base-Backbone interact. energy: -3.214
local terms energy: -515.933477
where:
bonds (distance) C4'-P energy: -86.608
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -117.173
flat angles P-C4'-P energy: -75.703
tors. eta vs tors. theta energy: -140.942
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: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1630.574076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.574076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.574076 (E_RNA)
where:
Base-Base interactions energy: -1126.204
where: short stacking energy: -498.275
Base-Backbone interact. energy: -3.379
local terms energy: -500.991095
where:
bonds (distance) C4'-P energy: -92.410
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -100.773
flat angles P-C4'-P energy: -72.215
tors. eta vs tors. theta energy: -139.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1527.644670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.644670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.644670 (E_RNA)
where:
Base-Base interactions energy: -1035.958
where: short stacking energy: -478.054
Base-Backbone interact. energy: -1.525
local terms energy: -490.161931
where:
bonds (distance) C4'-P energy: -76.885
bonds (distance) P-C4' energy: -80.627
flat angles C4'-P-C4' energy: -105.370
flat angles P-C4'-P energy: -79.999
tors. eta vs tors. theta energy: -147.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1476.238056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.238056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.238056 (E_RNA)
where:
Base-Base interactions energy: -1030.634
where: short stacking energy: -432.769
Base-Backbone interact. energy: -2.560
local terms energy: -443.043635
where:
bonds (distance) C4'-P energy: -87.443
bonds (distance) P-C4' energy: -87.796
flat angles C4'-P-C4' energy: -87.862
flat angles P-C4'-P energy: -45.686
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1325.483711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.483711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.483711 (E_RNA)
where:
Base-Base interactions energy: -893.175
where: short stacking energy: -387.834
Base-Backbone interact. energy: -3.098
local terms energy: -429.210252
where:
bonds (distance) C4'-P energy: -74.165
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -98.815
flat angles P-C4'-P energy: -56.582
tors. eta vs tors. theta energy: -119.397
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: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1312.451810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.451810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.451810 (E_RNA)
where:
Base-Base interactions energy: -907.919
where: short stacking energy: -399.183
Base-Backbone interact. energy: -2.830
local terms energy: -401.703032
where:
bonds (distance) C4'-P energy: -69.076
bonds (distance) P-C4' energy: -86.302
flat angles C4'-P-C4' energy: -89.708
flat angles P-C4'-P energy: -41.543
tors. eta vs tors. theta energy: -115.074
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: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1183.884174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.884174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.884174 (E_RNA)
where:
Base-Base interactions energy: -786.537
where: short stacking energy: -354.044
Base-Backbone interact. energy: 0.470
local terms energy: -397.817269
where:
bonds (distance) C4'-P energy: -65.654
bonds (distance) P-C4' energy: -83.490
flat angles C4'-P-C4' energy: -89.790
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -97.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1010.425739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.425739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.425739 (E_RNA)
where:
Base-Base interactions energy: -667.010
where: short stacking energy: -314.595
Base-Backbone interact. energy: 2.158
local terms energy: -345.574366
where:
bonds (distance) C4'-P energy: -69.513
bonds (distance) P-C4' energy: -76.555
flat angles C4'-P-C4' energy: -78.836
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -74.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -743.109160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.109160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.109160 (E_RNA)
where:
Base-Base interactions energy: -453.067
where: short stacking energy: -194.002
Base-Backbone interact. energy: -0.507
local terms energy: -289.535229
where:
bonds (distance) C4'-P energy: -77.388
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -72.464
flat angles P-C4'-P energy: -51.676
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -713.489993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.489993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.489993 (E_RNA)
where:
Base-Base interactions energy: -428.288
where: short stacking energy: -199.180
Base-Backbone interact. energy: 0.321
local terms energy: -285.523590
where:
bonds (distance) C4'-P energy: -79.827
bonds (distance) P-C4' energy: -69.144
flat angles C4'-P-C4' energy: -65.930
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -33.714
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: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1710.417772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.417772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.417772 (E_RNA)
where:
Base-Base interactions energy: -1201.888
where: short stacking energy: -533.163
Base-Backbone interact. energy: 0.119
local terms energy: -508.649334
where:
bonds (distance) C4'-P energy: -90.313
bonds (distance) P-C4' energy: -85.729
flat angles C4'-P-C4' energy: -109.838
flat angles P-C4'-P energy: -83.516
tors. eta vs tors. theta energy: -139.254
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: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1589.630976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.630976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.630976 (E_RNA)
where:
Base-Base interactions energy: -1081.296
where: short stacking energy: -477.445
Base-Backbone interact. energy: -1.644
local terms energy: -506.691495
where:
bonds (distance) C4'-P energy: -103.316
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -102.557
flat angles P-C4'-P energy: -74.820
tors. eta vs tors. theta energy: -138.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1538.486199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.486199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.486199 (E_RNA)
where:
Base-Base interactions energy: -1035.033
where: short stacking energy: -478.924
Base-Backbone interact. energy: -1.796
local terms energy: -501.657404
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -84.839
flat angles C4'-P-C4' energy: -105.409
flat angles P-C4'-P energy: -63.941
tors. eta vs tors. theta energy: -149.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1504.562622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.562622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.562622 (E_RNA)
where:
Base-Base interactions energy: -1046.038
where: short stacking energy: -464.185
Base-Backbone interact. energy: 1.120
local terms energy: -459.644166
where:
bonds (distance) C4'-P energy: -85.219
bonds (distance) P-C4' energy: -71.871
flat angles C4'-P-C4' energy: -100.554
flat angles P-C4'-P energy: -71.282
tors. eta vs tors. theta energy: -130.719
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1342.760340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.760340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.760340 (E_RNA)
where:
Base-Base interactions energy: -919.490
where: short stacking energy: -416.256
Base-Backbone interact. energy: 0.620
local terms energy: -423.889906
where:
bonds (distance) C4'-P energy: -73.232
bonds (distance) P-C4' energy: -87.948
flat angles C4'-P-C4' energy: -79.682
flat angles P-C4'-P energy: -53.771
tors. eta vs tors. theta energy: -129.256
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: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1299.730000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.730000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.730000 (E_RNA)
where:
Base-Base interactions energy: -904.192
where: short stacking energy: -400.417
Base-Backbone interact. energy: 1.864
local terms energy: -397.402331
where:
bonds (distance) C4'-P energy: -62.675
bonds (distance) P-C4' energy: -72.756
flat angles C4'-P-C4' energy: -92.337
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -117.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1171.723441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.723441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.723441 (E_RNA)
where:
Base-Base interactions energy: -782.227
where: short stacking energy: -366.377
Base-Backbone interact. energy: -2.296
local terms energy: -387.199773
where:
bonds (distance) C4'-P energy: -75.741
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -74.139
flat angles P-C4'-P energy: -69.588
tors. eta vs tors. theta energy: -82.264
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: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -988.280167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.280167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.280167 (E_RNA)
where:
Base-Base interactions energy: -645.426
where: short stacking energy: -281.904
Base-Backbone interact. energy: 0.109
local terms energy: -342.963246
where:
bonds (distance) C4'-P energy: -52.642
bonds (distance) P-C4' energy: -78.874
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -52.490
tors. eta vs tors. theta energy: -70.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -668.264820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.264820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.264820 (E_RNA)
where:
Base-Base interactions energy: -395.321
where: short stacking energy: -191.599
Base-Backbone interact. energy: 1.338
local terms energy: -274.282491
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -69.796
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -683.630811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.630811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.630811 (E_RNA)
where:
Base-Base interactions energy: -415.479
where: short stacking energy: -192.513
Base-Backbone interact. energy: -0.481
local terms energy: -267.670750
where:
bonds (distance) C4'-P energy: -60.430
bonds (distance) P-C4' energy: -78.370
flat angles C4'-P-C4' energy: -66.366
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1714.445375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.445375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.445375 (E_RNA)
where:
Base-Base interactions energy: -1207.813
where: short stacking energy: -522.273
Base-Backbone interact. energy: -3.632
local terms energy: -502.999603
where:
bonds (distance) C4'-P energy: -83.805
bonds (distance) P-C4' energy: -99.608
flat angles C4'-P-C4' energy: -110.499
flat angles P-C4'-P energy: -62.039
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: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1605.917403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.917403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.917403 (E_RNA)
where:
Base-Base interactions energy: -1103.120
where: short stacking energy: -501.214
Base-Backbone interact. energy: -2.658
local terms energy: -500.139506
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -90.960
flat angles C4'-P-C4' energy: -107.837
flat angles P-C4'-P energy: -65.130
tors. eta vs tors. theta energy: -146.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1506.762458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.762458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.762458 (E_RNA)
where:
Base-Base interactions energy: -1033.866
where: short stacking energy: -461.274
Base-Backbone interact. energy: -0.996
local terms energy: -471.899653
where:
bonds (distance) C4'-P energy: -75.319
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -107.738
flat angles P-C4'-P energy: -64.120
tors. eta vs tors. theta energy: -141.347
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: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1472.896642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.896642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.896642 (E_RNA)
where:
Base-Base interactions energy: -1013.115
where: short stacking energy: -434.747
Base-Backbone interact. energy: -2.830
local terms energy: -456.951115
where:
bonds (distance) C4'-P energy: -85.393
bonds (distance) P-C4' energy: -92.878
flat angles C4'-P-C4' energy: -92.474
flat angles P-C4'-P energy: -52.602
tors. eta vs tors. theta energy: -133.603
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: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1379.231816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.231816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.231816 (E_RNA)
where:
Base-Base interactions energy: -934.790
where: short stacking energy: -425.442
Base-Backbone interact. energy: -2.694
local terms energy: -441.747561
where:
bonds (distance) C4'-P energy: -76.383
bonds (distance) P-C4' energy: -84.619
flat angles C4'-P-C4' energy: -94.882
flat angles P-C4'-P energy: -67.579
tors. eta vs tors. theta energy: -118.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1304.218863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.218863 (E_RNA)
where:
Base-Base interactions energy: -885.177
where: short stacking energy: -395.628
Base-Backbone interact. energy: 4.027
local terms energy: -423.068271
where:
bonds (distance) C4'-P energy: -72.070
bonds (distance) P-C4' energy: -87.025
flat angles C4'-P-C4' energy: -92.366
flat angles P-C4'-P energy: -53.127
tors. eta vs tors. theta energy: -118.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1158.913889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.913889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.913889 (E_RNA)
where:
Base-Base interactions energy: -792.782
where: short stacking energy: -367.992
Base-Backbone interact. energy: -0.752
local terms energy: -365.379556
where:
bonds (distance) C4'-P energy: -60.709
bonds (distance) P-C4' energy: -75.953
flat angles C4'-P-C4' energy: -91.901
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -90.589
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: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -937.558169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.558169 (E_RNA)
where:
Base-Base interactions energy: -604.432
where: short stacking energy: -274.564
Base-Backbone interact. energy: -3.468
local terms energy: -329.658044
where:
bonds (distance) C4'-P energy: -70.860
bonds (distance) P-C4' energy: -82.781
flat angles C4'-P-C4' energy: -80.831
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -709.968645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.968645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.968645 (E_RNA)
where:
Base-Base interactions energy: -425.005
where: short stacking energy: -222.373
Base-Backbone interact. energy: 4.283
local terms energy: -289.246032
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -79.076
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -50.691
tors. eta vs tors. theta energy: -32.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -642.462624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.462624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.462624 (E_RNA)
where:
Base-Base interactions energy: -354.544
where: short stacking energy: -177.646
Base-Backbone interact. energy: -2.587
local terms energy: -285.332048
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -73.834
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -26.855
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: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1698.480686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.480686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.480686 (E_RNA)
where:
Base-Base interactions energy: -1196.225
where: short stacking energy: -513.698
Base-Backbone interact. energy: -1.977
local terms energy: -500.278234
where:
bonds (distance) C4'-P energy: -81.379
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -73.469
tors. eta vs tors. theta energy: -145.974
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1591.701597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.701597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.701597 (E_RNA)
where:
Base-Base interactions energy: -1088.889
where: short stacking energy: -505.520
Base-Backbone interact. energy: -1.796
local terms energy: -501.016088
where:
bonds (distance) C4'-P energy: -94.642
bonds (distance) P-C4' energy: -85.662
flat angles C4'-P-C4' energy: -106.287
flat angles P-C4'-P energy: -68.080
tors. eta vs tors. theta energy: -146.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1527.253865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.253865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.253865 (E_RNA)
where:
Base-Base interactions energy: -1038.232
where: short stacking energy: -470.662
Base-Backbone interact. energy: -2.702
local terms energy: -486.319469
where:
bonds (distance) C4'-P energy: -87.769
bonds (distance) P-C4' energy: -85.227
flat angles C4'-P-C4' energy: -107.723
flat angles P-C4'-P energy: -69.910
tors. eta vs tors. theta energy: -135.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1467.280458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.280458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.280458 (E_RNA)
where:
Base-Base interactions energy: -1007.102
where: short stacking energy: -452.981
Base-Backbone interact. energy: 0.050
local terms energy: -460.228368
where:
bonds (distance) C4'-P energy: -83.147
bonds (distance) P-C4' energy: -73.844
flat angles C4'-P-C4' energy: -100.270
flat angles P-C4'-P energy: -67.907
tors. eta vs tors. theta energy: -135.060
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: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1405.035618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.035618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.035618 (E_RNA)
where:
Base-Base interactions energy: -953.816
where: short stacking energy: -431.853
Base-Backbone interact. energy: -2.653
local terms energy: -448.566100
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -77.904
flat angles C4'-P-C4' energy: -108.534
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -126.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1225.925694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.925694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.925694 (E_RNA)
where:
Base-Base interactions energy: -812.339
where: short stacking energy: -360.603
Base-Backbone interact. energy: -1.137
local terms energy: -412.449692
where:
bonds (distance) C4'-P energy: -80.167
bonds (distance) P-C4' energy: -88.670
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -101.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1203.176394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.176394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.176394 (E_RNA)
where:
Base-Base interactions energy: -836.665
where: short stacking energy: -370.700
Base-Backbone interact. energy: -1.390
local terms energy: -365.121655
where:
bonds (distance) C4'-P energy: -69.829
bonds (distance) P-C4' energy: -85.025
flat angles C4'-P-C4' energy: -75.831
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: -86.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -960.286613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.286613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.286613 (E_RNA)
where:
Base-Base interactions energy: -627.745
where: short stacking energy: -296.040
Base-Backbone interact. energy: 2.356
local terms energy: -334.897675
where:
bonds (distance) C4'-P energy: -86.519
bonds (distance) P-C4' energy: -81.365
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -46.445
tors. eta vs tors. theta energy: -49.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -724.619225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.619225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.619225 (E_RNA)
where:
Base-Base interactions energy: -428.683
where: short stacking energy: -212.000
Base-Backbone interact. energy: -0.806
local terms energy: -295.130251
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -66.202
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -24.677
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: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -572.390380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.390380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.390380 (E_RNA)
where:
Base-Base interactions energy: -320.737
where: short stacking energy: -153.566
Base-Backbone interact. energy: -0.892
local terms energy: -250.761708
where:
bonds (distance) C4'-P energy: -75.399
bonds (distance) P-C4' energy: -79.356
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -8.688
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: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1694.160309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.160309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.160309 (E_RNA)
where:
Base-Base interactions energy: -1185.967
where: short stacking energy: -512.173
Base-Backbone interact. energy: -3.947
local terms energy: -504.246142
where:
bonds (distance) C4'-P energy: -96.351
bonds (distance) P-C4' energy: -96.051
flat angles C4'-P-C4' energy: -111.425
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -138.841
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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1572.478858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.478858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.478858 (E_RNA)
where:
Base-Base interactions energy: -1060.099
where: short stacking energy: -489.611
Base-Backbone interact. energy: -2.304
local terms energy: -510.075191
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -105.654
flat angles C4'-P-C4' energy: -105.144
flat angles P-C4'-P energy: -69.649
tors. eta vs tors. theta energy: -141.334
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: 383
Temperature: 1.000000
Total energy: -1524.772078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.772078 (E_RNA)
where:
Base-Base interactions energy: -1046.127
where: short stacking energy: -485.618
Base-Backbone interact. energy: -0.563
local terms energy: -478.081663
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -80.678
flat angles C4'-P-C4' energy: -101.270
flat angles P-C4'-P energy: -64.406
tors. eta vs tors. theta energy: -140.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1477.810039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.810039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.810039 (E_RNA)
where:
Base-Base interactions energy: -1043.150
where: short stacking energy: -444.336
Base-Backbone interact. energy: 1.198
local terms energy: -435.858062
where:
bonds (distance) C4'-P energy: -79.894
bonds (distance) P-C4' energy: -80.871
flat angles C4'-P-C4' energy: -94.965
flat angles P-C4'-P energy: -64.105
tors. eta vs tors. theta energy: -116.024
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1423.874021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.874021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.874021 (E_RNA)
where:
Base-Base interactions energy: -980.260
where: short stacking energy: -458.848
Base-Backbone interact. energy: -2.766
local terms energy: -440.848097
where:
bonds (distance) C4'-P energy: -85.640
bonds (distance) P-C4' energy: -66.681
flat angles C4'-P-C4' energy: -100.164
flat angles P-C4'-P energy: -54.560
tors. eta vs tors. theta energy: -133.803
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: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1251.751158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.751158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.751158 (E_RNA)
where:
Base-Base interactions energy: -843.577
where: short stacking energy: -374.520
Base-Backbone interact. energy: -1.456
local terms energy: -406.717861
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -92.529
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -94.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1191.817438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.817438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.817438 (E_RNA)
where:
Base-Base interactions energy: -824.830
where: short stacking energy: -349.905
Base-Backbone interact. energy: 8.352
local terms energy: -375.339335
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -95.341
flat angles P-C4'-P energy: -62.589
tors. eta vs tors. theta energy: -85.142
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: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1026.408242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.408242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.408242 (E_RNA)
where:
Base-Base interactions energy: -658.732
where: short stacking energy: -290.255
Base-Backbone interact. energy: -1.288
local terms energy: -366.387931
where:
bonds (distance) C4'-P energy: -82.657
bonds (distance) P-C4' energy: -77.531
flat angles C4'-P-C4' energy: -88.097
flat angles P-C4'-P energy: -58.219
tors. eta vs tors. theta energy: -59.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -784.171159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.171159 (E_RNA)
where:
Base-Base interactions energy: -458.944
where: short stacking energy: -237.234
Base-Backbone interact. energy: 2.730
local terms energy: -327.957013
where:
bonds (distance) C4'-P energy: -79.872
bonds (distance) P-C4' energy: -78.050
flat angles C4'-P-C4' energy: -80.795
flat angles P-C4'-P energy: -49.898
tors. eta vs tors. theta energy: -39.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -574.678814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.678814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.678814 (E_RNA)
where:
Base-Base interactions energy: -302.768
where: short stacking energy: -176.902
Base-Backbone interact. energy: 0.742
local terms energy: -272.653484
where:
bonds (distance) C4'-P energy: -81.415
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -72.917
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1684.476369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.476369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.476369 (E_RNA)
where:
Base-Base interactions energy: -1190.862
where: short stacking energy: -503.182
Base-Backbone interact. energy: -3.260
local terms energy: -490.353585
where:
bonds (distance) C4'-P energy: -87.013
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -104.333
flat angles P-C4'-P energy: -63.913
tors. eta vs tors. theta energy: -141.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1590.430730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.430730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.430730 (E_RNA)
where:
Base-Base interactions energy: -1111.107
where: short stacking energy: -511.679
Base-Backbone interact. energy: -2.873
local terms energy: -476.450056
where:
bonds (distance) C4'-P energy: -84.565
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -98.594
flat angles P-C4'-P energy: -59.742
tors. eta vs tors. theta energy: -142.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1498.550711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.550711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.550711 (E_RNA)
where:
Base-Base interactions energy: -1025.008
where: short stacking energy: -443.504
Base-Backbone interact. energy: -0.383
local terms energy: -473.159180
where:
bonds (distance) C4'-P energy: -83.733
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -98.068
flat angles P-C4'-P energy: -79.901
tors. eta vs tors. theta energy: -130.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1477.895791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.895791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.895791 (E_RNA)
where:
Base-Base interactions energy: -1010.813
where: short stacking energy: -464.097
Base-Backbone interact. energy: 0.165
local terms energy: -467.247754
where:
bonds (distance) C4'-P energy: -69.353
bonds (distance) P-C4' energy: -89.948
flat angles C4'-P-C4' energy: -101.142
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -136.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1406.081652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.081652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.081652 (E_RNA)
where:
Base-Base interactions energy: -970.669
where: short stacking energy: -462.463
Base-Backbone interact. energy: 0.086
local terms energy: -435.498826
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -80.354
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -62.663
tors. eta vs tors. theta energy: -136.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1230.238505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.238505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.238505 (E_RNA)
where:
Base-Base interactions energy: -840.990
where: short stacking energy: -400.598
Base-Backbone interact. energy: -0.855
local terms energy: -388.393055
where:
bonds (distance) C4'-P energy: -65.669
bonds (distance) P-C4' energy: -87.949
flat angles C4'-P-C4' energy: -88.999
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -99.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1188.973238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.973238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.973238 (E_RNA)
where:
Base-Base interactions energy: -819.240
where: short stacking energy: -331.047
Base-Backbone interact. energy: -0.261
local terms energy: -369.471566
where:
bonds (distance) C4'-P energy: -79.684
bonds (distance) P-C4' energy: -79.799
flat angles C4'-P-C4' energy: -79.454
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: -79.439
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1004.498899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.498899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.498899 (E_RNA)
where:
Base-Base interactions energy: -669.578
where: short stacking energy: -314.887
Base-Backbone interact. energy: 1.207
local terms energy: -336.128000
where:
bonds (distance) C4'-P energy: -62.452
bonds (distance) P-C4' energy: -68.849
flat angles C4'-P-C4' energy: -87.993
flat angles P-C4'-P energy: -52.277
tors. eta vs tors. theta energy: -64.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -775.024670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.024670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.024670 (E_RNA)
where:
Base-Base interactions energy: -496.391
where: short stacking energy: -253.293
Base-Backbone interact. energy: 2.524
local terms energy: -281.158292
where:
bonds (distance) C4'-P energy: -52.794
bonds (distance) P-C4' energy: -77.319
flat angles C4'-P-C4' energy: -61.366
flat angles P-C4'-P energy: -49.845
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -574.287704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.287704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.287704 (E_RNA)
where:
Base-Base interactions energy: -302.857
where: short stacking energy: -150.650
Base-Backbone interact. energy: -4.019
local terms energy: -267.411289
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -67.319
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -48.770
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1697.681638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.681638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.681638 (E_RNA)
where:
Base-Base interactions energy: -1182.422
where: short stacking energy: -500.581
Base-Backbone interact. energy: -2.451
local terms energy: -512.809280
where:
bonds (distance) C4'-P energy: -98.207
bonds (distance) P-C4' energy: -98.406
flat angles C4'-P-C4' energy: -104.127
flat angles P-C4'-P energy: -66.420
tors. eta vs tors. theta energy: -145.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1609.300741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.300741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.300741 (E_RNA)
where:
Base-Base interactions energy: -1099.372
where: short stacking energy: -478.187
Base-Backbone interact. energy: -4.109
local terms energy: -505.819597
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -103.589
flat angles C4'-P-C4' energy: -111.265
flat angles P-C4'-P energy: -61.489
tors. eta vs tors. theta energy: -141.438
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: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1517.094721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.094721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.094721 (E_RNA)
where:
Base-Base interactions energy: -1046.074
where: short stacking energy: -455.871
Base-Backbone interact. energy: -1.588
local terms energy: -469.432309
where:
bonds (distance) C4'-P energy: -87.921
bonds (distance) P-C4' energy: -89.353
flat angles C4'-P-C4' energy: -89.173
flat angles P-C4'-P energy: -69.608
tors. eta vs tors. theta energy: -133.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1454.346471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.346471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.346471 (E_RNA)
where:
Base-Base interactions energy: -1002.325
where: short stacking energy: -454.602
Base-Backbone interact. energy: 0.037
local terms energy: -452.058176
where:
bonds (distance) C4'-P energy: -75.246
bonds (distance) P-C4' energy: -82.599
flat angles C4'-P-C4' energy: -103.984
flat angles P-C4'-P energy: -57.021
tors. eta vs tors. theta energy: -133.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1416.709633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.709633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.709633 (E_RNA)
where:
Base-Base interactions energy: -963.925
where: short stacking energy: -451.119
Base-Backbone interact. energy: -3.508
local terms energy: -449.277332
where:
bonds (distance) C4'-P energy: -75.706
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -91.261
flat angles P-C4'-P energy: -72.453
tors. eta vs tors. theta energy: -127.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1222.101893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.101893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.101893 (E_RNA)
where:
Base-Base interactions energy: -812.780
where: short stacking energy: -380.753
Base-Backbone interact. energy: -0.619
local terms energy: -408.703093
where:
bonds (distance) C4'-P energy: -83.935
bonds (distance) P-C4' energy: -75.652
flat angles C4'-P-C4' energy: -87.758
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -105.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1263.520690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.520690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.520690 (E_RNA)
where:
Base-Base interactions energy: -875.524
where: short stacking energy: -362.979
Base-Backbone interact. energy: -1.146
local terms energy: -386.851083
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -73.214
flat angles C4'-P-C4' energy: -87.663
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -964.580710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.580710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.580710 (E_RNA)
where:
Base-Base interactions energy: -637.691
where: short stacking energy: -269.001
Base-Backbone interact. energy: 2.612
local terms energy: -329.502118
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -87.610
flat angles C4'-P-C4' energy: -76.681
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -43.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -810.628720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.628720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.628720 (E_RNA)
where:
Base-Base interactions energy: -491.348
where: short stacking energy: -232.823
Base-Backbone interact. energy: -1.389
local terms energy: -317.891487
where:
bonds (distance) C4'-P energy: -68.546
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -84.095
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: -44.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -559.645802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.645802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.645802 (E_RNA)
where:
Base-Base interactions energy: -301.220
where: short stacking energy: -143.755
Base-Backbone interact. energy: 2.484
local terms energy: -260.909877
where:
bonds (distance) C4'-P energy: -76.387
bonds (distance) P-C4' energy: -82.120
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: 2.784
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: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1721.471888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.471888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.471888 (E_RNA)
where:
Base-Base interactions energy: -1206.292
where: short stacking energy: -501.859
Base-Backbone interact. energy: -1.404
local terms energy: -513.775730
where:
bonds (distance) C4'-P energy: -88.921
bonds (distance) P-C4' energy: -94.455
flat angles C4'-P-C4' energy: -107.960
flat angles P-C4'-P energy: -75.830
tors. eta vs tors. theta energy: -146.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1605.031011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.031011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.031011 (E_RNA)
where:
Base-Base interactions energy: -1100.327
where: short stacking energy: -500.249
Base-Backbone interact. energy: -2.456
local terms energy: -502.247805
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -81.025
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -145.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1518.825601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.825601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.825601 (E_RNA)
where:
Base-Base interactions energy: -1034.329
where: short stacking energy: -459.469
Base-Backbone interact. energy: -3.739
local terms energy: -480.757460
where:
bonds (distance) C4'-P energy: -66.909
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -69.381
tors. eta vs tors. theta energy: -138.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1480.890445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.890445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.890445 (E_RNA)
where:
Base-Base interactions energy: -1000.223
where: short stacking energy: -445.264
Base-Backbone interact. energy: -0.887
local terms energy: -479.780815
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -82.240
flat angles C4'-P-C4' energy: -100.432
flat angles P-C4'-P energy: -73.632
tors. eta vs tors. theta energy: -129.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1388.173757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.173757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.173757 (E_RNA)
where:
Base-Base interactions energy: -946.922
where: short stacking energy: -412.156
Base-Backbone interact. energy: -2.467
local terms energy: -438.784655
where:
bonds (distance) C4'-P energy: -67.171
bonds (distance) P-C4' energy: -88.461
flat angles C4'-P-C4' energy: -95.718
flat angles P-C4'-P energy: -67.686
tors. eta vs tors. theta energy: -119.748
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: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1202.241559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.241559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.241559 (E_RNA)
where:
Base-Base interactions energy: -807.034
where: short stacking energy: -376.725
Base-Backbone interact. energy: -0.623
local terms energy: -394.584604
where:
bonds (distance) C4'-P energy: -68.776
bonds (distance) P-C4' energy: -76.358
flat angles C4'-P-C4' energy: -97.661
flat angles P-C4'-P energy: -62.814
tors. eta vs tors. theta energy: -88.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1252.075976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.075976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.075976 (E_RNA)
where:
Base-Base interactions energy: -871.433
where: short stacking energy: -356.603
Base-Backbone interact. energy: -2.409
local terms energy: -378.233967
where:
bonds (distance) C4'-P energy: -66.546
bonds (distance) P-C4' energy: -78.621
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -57.915
tors. eta vs tors. theta energy: -96.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -945.638270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.638270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.638270 (E_RNA)
where:
Base-Base interactions energy: -612.224
where: short stacking energy: -291.261
Base-Backbone interact. energy: -2.296
local terms energy: -331.117768
where:
bonds (distance) C4'-P energy: -76.021
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -41.261
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: 386
Temperature: 1.300000
Total energy: -796.929595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.929595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.929595 (E_RNA)
where:
Base-Base interactions energy: -472.110
where: short stacking energy: -236.541
Base-Backbone interact. energy: 1.722
local terms energy: -326.541333
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -75.496
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -47.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -586.374658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.374658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.374658 (E_RNA)
where:
Base-Base interactions energy: -366.661
where: short stacking energy: -197.762
Base-Backbone interact. energy: 4.219
local terms energy: -223.932431
where:
bonds (distance) C4'-P energy: -68.579
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: -3.689
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1693.090138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.090138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.090138 (E_RNA)
where:
Base-Base interactions energy: -1172.429
where: short stacking energy: -507.934
Base-Backbone interact. energy: -3.596
local terms energy: -517.064751
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -92.917
flat angles C4'-P-C4' energy: -103.310
flat angles P-C4'-P energy: -69.082
tors. eta vs tors. theta energy: -144.009
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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1608.980314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.980314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.980314 (E_RNA)
where:
Base-Base interactions energy: -1100.294
where: short stacking energy: -502.896
Base-Backbone interact. energy: -4.131
local terms energy: -504.555968
where:
bonds (distance) C4'-P energy: -101.461
bonds (distance) P-C4' energy: -98.690
flat angles C4'-P-C4' energy: -92.284
flat angles P-C4'-P energy: -71.750
tors. eta vs tors. theta energy: -140.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1537.725610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.725610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.725610 (E_RNA)
where:
Base-Base interactions energy: -1076.909
where: short stacking energy: -455.367
Base-Backbone interact. energy: -0.945
local terms energy: -459.871049
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -83.422
flat angles C4'-P-C4' energy: -93.288
flat angles P-C4'-P energy: -64.326
tors. eta vs tors. theta energy: -132.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1459.623609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.623609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.623609 (E_RNA)
where:
Base-Base interactions energy: -1000.914
where: short stacking energy: -456.851
Base-Backbone interact. energy: -1.837
local terms energy: -456.872392
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -80.472
flat angles C4'-P-C4' energy: -95.824
flat angles P-C4'-P energy: -56.405
tors. eta vs tors. theta energy: -135.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1393.072851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.072851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.072851 (E_RNA)
where:
Base-Base interactions energy: -929.406
where: short stacking energy: -403.310
Base-Backbone interact. energy: -3.727
local terms energy: -459.940517
where:
bonds (distance) C4'-P energy: -86.254
bonds (distance) P-C4' energy: -86.242
flat angles C4'-P-C4' energy: -97.649
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -119.489
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1210.690000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.690000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.690000 (E_RNA)
where:
Base-Base interactions energy: -810.172
where: short stacking energy: -377.660
Base-Backbone interact. energy: 0.684
local terms energy: -401.202230
where:
bonds (distance) C4'-P energy: -62.408
bonds (distance) P-C4' energy: -81.360
flat angles C4'-P-C4' energy: -97.058
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -98.027
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1202.511223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.511223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.511223 (E_RNA)
where:
Base-Base interactions energy: -821.099
where: short stacking energy: -352.106
Base-Backbone interact. energy: -4.119
local terms energy: -377.292850
where:
bonds (distance) C4'-P energy: -66.087
bonds (distance) P-C4' energy: -69.375
flat angles C4'-P-C4' energy: -92.080
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -86.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -939.313047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.313047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.313047 (E_RNA)
where:
Base-Base interactions energy: -576.095
where: short stacking energy: -259.746
Base-Backbone interact. energy: 0.138
local terms energy: -363.355813
where:
bonds (distance) C4'-P energy: -89.133
bonds (distance) P-C4' energy: -93.339
flat angles C4'-P-C4' energy: -89.563
flat angles P-C4'-P energy: -49.301
tors. eta vs tors. theta energy: -42.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -763.210688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.210688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.210688 (E_RNA)
where:
Base-Base interactions energy: -478.596
where: short stacking energy: -222.255
Base-Backbone interact. energy: 0.521
local terms energy: -285.135921
where:
bonds (distance) C4'-P energy: -71.310
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -51.031
tors. eta vs tors. theta energy: -27.552
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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -565.910226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.910226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.910226 (E_RNA)
where:
Base-Base interactions energy: -315.865
where: short stacking energy: -174.044
Base-Backbone interact. energy: -2.825
local terms energy: -247.220508
where:
bonds (distance) C4'-P energy: -65.868
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -55.590
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1707.825474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.825474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.825474 (E_RNA)
where:
Base-Base interactions energy: -1202.824
where: short stacking energy: -497.937
Base-Backbone interact. energy: -1.539
local terms energy: -503.462317
where:
bonds (distance) C4'-P energy: -87.503
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -102.895
flat angles P-C4'-P energy: -73.573
tors. eta vs tors. theta energy: -145.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1592.510856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.510856 (E_RNA)
where:
Base-Base interactions energy: -1094.711
where: short stacking energy: -496.531
Base-Backbone interact. energy: -3.819
local terms energy: -493.980837
where:
bonds (distance) C4'-P energy: -90.222
bonds (distance) P-C4' energy: -94.033
flat angles C4'-P-C4' energy: -101.923
flat angles P-C4'-P energy: -64.319
tors. eta vs tors. theta energy: -143.484
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1522.056396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.056396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.056396 (E_RNA)
where:
Base-Base interactions energy: -1032.823
where: short stacking energy: -453.474
Base-Backbone interact. energy: -2.755
local terms energy: -486.478876
where:
bonds (distance) C4'-P energy: -88.958
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -95.564
flat angles P-C4'-P energy: -76.236
tors. eta vs tors. theta energy: -131.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1469.634542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.634542 (E_RNA)
where:
Base-Base interactions energy: -991.337
where: short stacking energy: -461.936
Base-Backbone interact. energy: -2.376
local terms energy: -475.920852
where:
bonds (distance) C4'-P energy: -88.637
bonds (distance) P-C4' energy: -86.491
flat angles C4'-P-C4' energy: -99.930
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -143.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1410.156039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.156039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.156039 (E_RNA)
where:
Base-Base interactions energy: -969.862
where: short stacking energy: -411.333
Base-Backbone interact. energy: -2.648
local terms energy: -437.646253
where:
bonds (distance) C4'-P energy: -81.330
bonds (distance) P-C4' energy: -87.934
flat angles C4'-P-C4' energy: -95.083
flat angles P-C4'-P energy: -51.852
tors. eta vs tors. theta energy: -121.447
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1232.765377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.765377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.765377 (E_RNA)
where:
Base-Base interactions energy: -833.639
where: short stacking energy: -360.089
Base-Backbone interact. energy: 1.970
local terms energy: -401.096752
where:
bonds (distance) C4'-P energy: -80.684
bonds (distance) P-C4' energy: -82.591
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -59.833
tors. eta vs tors. theta energy: -84.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1177.442058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.442058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.442058 (E_RNA)
where:
Base-Base interactions energy: -802.005
where: short stacking energy: -347.101
Base-Backbone interact. energy: -2.327
local terms energy: -373.110116
where:
bonds (distance) C4'-P energy: -78.698
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -88.055
flat angles P-C4'-P energy: -50.181
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: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -909.320694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.320694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.320694 (E_RNA)
where:
Base-Base interactions energy: -600.593
where: short stacking energy: -273.681
Base-Backbone interact. energy: -0.813
local terms energy: -307.914258
where:
bonds (distance) C4'-P energy: -72.248
bonds (distance) P-C4' energy: -71.110
flat angles C4'-P-C4' energy: -70.684
flat angles P-C4'-P energy: -48.995
tors. eta vs tors. theta energy: -44.877
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: 388
Temperature: 1.300000
Total energy: -747.424874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.424874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.424874 (E_RNA)
where:
Base-Base interactions energy: -439.746
where: short stacking energy: -209.234
Base-Backbone interact. energy: 0.394
local terms energy: -308.072495
where:
bonds (distance) C4'-P energy: -69.960
bonds (distance) P-C4' energy: -71.308
flat angles C4'-P-C4' energy: -80.262
flat angles P-C4'-P energy: -50.640
tors. eta vs tors. theta energy: -35.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -532.875039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.875039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.875039 (E_RNA)
where:
Base-Base interactions energy: -273.382
where: short stacking energy: -145.936
Base-Backbone interact. energy: -2.919
local terms energy: -256.574161
where:
bonds (distance) C4'-P energy: -65.781
bonds (distance) P-C4' energy: -82.656
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: 4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1703.658892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.658892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.658892 (E_RNA)
where:
Base-Base interactions energy: -1195.255
where: short stacking energy: -518.709
Base-Backbone interact. energy: -5.766
local terms energy: -502.637834
where:
bonds (distance) C4'-P energy: -93.599
bonds (distance) P-C4' energy: -84.816
flat angles C4'-P-C4' energy: -99.010
flat angles P-C4'-P energy: -80.246
tors. eta vs tors. theta energy: -144.967
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1593.708444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.708444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.708444 (E_RNA)
where:
Base-Base interactions energy: -1097.132
where: short stacking energy: -479.392
Base-Backbone interact. energy: -2.657
local terms energy: -493.919870
where:
bonds (distance) C4'-P energy: -95.662
bonds (distance) P-C4' energy: -98.077
flat angles C4'-P-C4' energy: -93.606
flat angles P-C4'-P energy: -68.299
tors. eta vs tors. theta energy: -138.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1535.849418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.849418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.849418 (E_RNA)
where:
Base-Base interactions energy: -1054.842
where: short stacking energy: -464.930
Base-Backbone interact. energy: -0.756
local terms energy: -480.251372
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -87.786
flat angles C4'-P-C4' energy: -106.897
flat angles P-C4'-P energy: -73.313
tors. eta vs tors. theta energy: -136.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1511.291230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.291230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.291230 (E_RNA)
where:
Base-Base interactions energy: -1015.142
where: short stacking energy: -474.909
Base-Backbone interact. energy: -0.988
local terms energy: -495.160781
where:
bonds (distance) C4'-P energy: -87.569
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -105.424
flat angles P-C4'-P energy: -68.386
tors. eta vs tors. theta energy: -147.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1347.301215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.301215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.301215 (E_RNA)
where:
Base-Base interactions energy: -908.173
where: short stacking energy: -405.095
Base-Backbone interact. energy: -0.920
local terms energy: -438.208466
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -82.766
flat angles C4'-P-C4' energy: -95.989
flat angles P-C4'-P energy: -65.885
tors. eta vs tors. theta energy: -114.089
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1245.998567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.998567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.998567 (E_RNA)
where:
Base-Base interactions energy: -818.100
where: short stacking energy: -376.444
Base-Backbone interact. energy: -1.086
local terms energy: -426.812184
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -78.297
flat angles C4'-P-C4' energy: -102.662
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -96.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1156.027649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.027649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.027649 (E_RNA)
where:
Base-Base interactions energy: -790.501
where: short stacking energy: -310.044
Base-Backbone interact. energy: -0.749
local terms energy: -364.777470
where:
bonds (distance) C4'-P energy: -78.396
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -86.954
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -72.782
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: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -879.139110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.139110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.139110 (E_RNA)
where:
Base-Base interactions energy: -545.317
where: short stacking energy: -254.524
Base-Backbone interact. energy: 3.633
local terms energy: -337.454917
where:
bonds (distance) C4'-P energy: -74.431
bonds (distance) P-C4' energy: -83.415
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -45.522
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: 389
Temperature: 1.300000
Total energy: -766.694805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.694805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.694805 (E_RNA)
where:
Base-Base interactions energy: -470.423
where: short stacking energy: -220.389
Base-Backbone interact. energy: -2.295
local terms energy: -293.977033
where:
bonds (distance) C4'-P energy: -67.195
bonds (distance) P-C4' energy: -89.874
flat angles C4'-P-C4' energy: -58.789
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -39.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -484.238298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.238298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.238298 (E_RNA)
where:
Base-Base interactions energy: -234.874
where: short stacking energy: -140.409
Base-Backbone interact. energy: 2.175
local terms energy: -251.539752
where:
bonds (distance) C4'-P energy: -83.732
bonds (distance) P-C4' energy: -74.241
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1684.888679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.888679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.888679 (E_RNA)
where:
Base-Base interactions energy: -1177.012
where: short stacking energy: -506.296
Base-Backbone interact. energy: -4.022
local terms energy: -503.854820
where:
bonds (distance) C4'-P energy: -86.512
bonds (distance) P-C4' energy: -91.343
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -145.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1595.546223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.546223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.546223 (E_RNA)
where:
Base-Base interactions energy: -1087.057
where: short stacking energy: -503.283
Base-Backbone interact. energy: 1.518
local terms energy: -510.008021
where:
bonds (distance) C4'-P energy: -88.536
bonds (distance) P-C4' energy: -95.140
flat angles C4'-P-C4' energy: -104.252
flat angles P-C4'-P energy: -74.875
tors. eta vs tors. theta energy: -147.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1543.649887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.649887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.649887 (E_RNA)
where:
Base-Base interactions energy: -1065.705
where: short stacking energy: -459.949
Base-Backbone interact. energy: -2.536
local terms energy: -475.409496
where:
bonds (distance) C4'-P energy: -84.103
bonds (distance) P-C4' energy: -90.100
flat angles C4'-P-C4' energy: -97.861
flat angles P-C4'-P energy: -65.573
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: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1464.733727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.733727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.733727 (E_RNA)
where:
Base-Base interactions energy: -989.132
where: short stacking energy: -470.749
Base-Backbone interact. energy: -1.674
local terms energy: -473.927818
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -84.243
flat angles C4'-P-C4' energy: -96.876
flat angles P-C4'-P energy: -68.663
tors. eta vs tors. theta energy: -139.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1375.024825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.024825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.024825 (E_RNA)
where:
Base-Base interactions energy: -938.557
where: short stacking energy: -413.859
Base-Backbone interact. energy: -0.994
local terms energy: -435.473677
where:
bonds (distance) C4'-P energy: -78.521
bonds (distance) P-C4' energy: -85.202
flat angles C4'-P-C4' energy: -87.461
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -111.943
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: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1256.192709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.192709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.192709 (E_RNA)
where:
Base-Base interactions energy: -854.180
where: short stacking energy: -383.484
Base-Backbone interact. energy: 0.956
local terms energy: -402.968064
where:
bonds (distance) C4'-P energy: -75.568
bonds (distance) P-C4' energy: -77.464
flat angles C4'-P-C4' energy: -90.602
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -105.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1149.015097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.015097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.015097 (E_RNA)
where:
Base-Base interactions energy: -788.063
where: short stacking energy: -347.221
Base-Backbone interact. energy: -2.198
local terms energy: -358.753813
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -76.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -976.207144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.207144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.207144 (E_RNA)
where:
Base-Base interactions energy: -626.109
where: short stacking energy: -298.994
Base-Backbone interact. energy: -0.185
local terms energy: -349.913334
where:
bonds (distance) C4'-P energy: -66.062
bonds (distance) P-C4' energy: -72.007
flat angles C4'-P-C4' energy: -78.873
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -74.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -731.382584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.382584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.382584 (E_RNA)
where:
Base-Base interactions energy: -434.495
where: short stacking energy: -224.386
Base-Backbone interact. energy: -0.565
local terms energy: -296.322516
where:
bonds (distance) C4'-P energy: -76.295
bonds (distance) P-C4' energy: -78.775
flat angles C4'-P-C4' energy: -65.426
flat angles P-C4'-P energy: -37.500
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -465.472980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.472980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.472980 (E_RNA)
where:
Base-Base interactions energy: -198.840
where: short stacking energy: -140.512
Base-Backbone interact. energy: -0.035
local terms energy: -266.597899
where:
bonds (distance) C4'-P energy: -81.217
bonds (distance) P-C4' energy: -73.743
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1701.325681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.325681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.325681 (E_RNA)
where:
Base-Base interactions energy: -1198.682
where: short stacking energy: -519.134
Base-Backbone interact. energy: -3.338
local terms energy: -499.305772
where:
bonds (distance) C4'-P energy: -88.183
bonds (distance) P-C4' energy: -89.309
flat angles C4'-P-C4' energy: -106.291
flat angles P-C4'-P energy: -65.132
tors. eta vs tors. theta energy: -150.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1549.545562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.545562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.545562 (E_RNA)
where:
Base-Base interactions energy: -1062.231
where: short stacking energy: -459.133
Base-Backbone interact. energy: -0.822
local terms energy: -486.493322
where:
bonds (distance) C4'-P energy: -85.928
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -101.383
flat angles P-C4'-P energy: -69.843
tors. eta vs tors. theta energy: -130.898
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: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1563.566723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.566723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.566723 (E_RNA)
where:
Base-Base interactions energy: -1063.861
where: short stacking energy: -466.835
Base-Backbone interact. energy: -1.986
local terms energy: -497.719207
where:
bonds (distance) C4'-P energy: -97.099
bonds (distance) P-C4' energy: -88.021
flat angles C4'-P-C4' energy: -99.827
flat angles P-C4'-P energy: -76.579
tors. eta vs tors. theta energy: -136.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1468.912166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.912166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.912166 (E_RNA)
where:
Base-Base interactions energy: -1005.788
where: short stacking energy: -462.483
Base-Backbone interact. energy: -1.197
local terms energy: -461.927321
where:
bonds (distance) C4'-P energy: -83.354
bonds (distance) P-C4' energy: -91.318
flat angles C4'-P-C4' energy: -96.820
flat angles P-C4'-P energy: -53.795
tors. eta vs tors. theta energy: -136.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1358.200198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.200198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.200198 (E_RNA)
where:
Base-Base interactions energy: -938.020
where: short stacking energy: -413.756
Base-Backbone interact. energy: -0.875
local terms energy: -419.304773
where:
bonds (distance) C4'-P energy: -75.015
bonds (distance) P-C4' energy: -75.401
flat angles C4'-P-C4' energy: -91.160
flat angles P-C4'-P energy: -66.334
tors. eta vs tors. theta energy: -111.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1227.383660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.383660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.383660 (E_RNA)
where:
Base-Base interactions energy: -825.677
where: short stacking energy: -346.131
Base-Backbone interact. energy: -3.054
local terms energy: -398.653116
where:
bonds (distance) C4'-P energy: -78.165
bonds (distance) P-C4' energy: -88.983
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -60.552
tors. eta vs tors. theta energy: -84.634
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: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1218.710725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.710725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.710725 (E_RNA)
where:
Base-Base interactions energy: -823.726
where: short stacking energy: -373.243
Base-Backbone interact. energy: 0.685
local terms energy: -395.670310
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -80.540
flat angles C4'-P-C4' energy: -78.274
flat angles P-C4'-P energy: -61.952
tors. eta vs tors. theta energy: -99.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -989.350069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.350069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.350069 (E_RNA)
where:
Base-Base interactions energy: -642.622
where: short stacking energy: -292.515
Base-Backbone interact. energy: -1.413
local terms energy: -345.315772
where:
bonds (distance) C4'-P energy: -77.116
bonds (distance) P-C4' energy: -84.593
flat angles C4'-P-C4' energy: -76.481
flat angles P-C4'-P energy: -44.484
tors. eta vs tors. theta energy: -62.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -714.024631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.024631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.024631 (E_RNA)
where:
Base-Base interactions energy: -419.443
where: short stacking energy: -191.957
Base-Backbone interact. energy: -1.204
local terms energy: -293.378447
where:
bonds (distance) C4'-P energy: -83.666
bonds (distance) P-C4' energy: -84.199
flat angles C4'-P-C4' energy: -79.963
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -461.663069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.663069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.663069 (E_RNA)
where:
Base-Base interactions energy: -217.596
where: short stacking energy: -141.957
Base-Backbone interact. energy: 0.673
local terms energy: -244.739902
where:
bonds (distance) C4'-P energy: -75.313
bonds (distance) P-C4' energy: -73.830
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1700.434612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.434612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.434612 (E_RNA)
where:
Base-Base interactions energy: -1199.196
where: short stacking energy: -515.657
Base-Backbone interact. energy: -0.466
local terms energy: -500.772170
where:
bonds (distance) C4'-P energy: -90.096
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -101.352
flat angles P-C4'-P energy: -71.591
tors. eta vs tors. theta energy: -142.227
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: 392
Temperature: 0.950000
Total energy: -1563.910978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.910978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.910978 (E_RNA)
where:
Base-Base interactions energy: -1082.583
where: short stacking energy: -467.550
Base-Backbone interact. energy: -2.493
local terms energy: -478.834673
where:
bonds (distance) C4'-P energy: -86.061
bonds (distance) P-C4' energy: -90.336
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: -133.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1553.351163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.351163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.351163 (E_RNA)
where:
Base-Base interactions energy: -1076.554
where: short stacking energy: -470.392
Base-Backbone interact. energy: -3.597
local terms energy: -473.199687
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -87.920
flat angles C4'-P-C4' energy: -100.505
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -135.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1461.613172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.613172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.613172 (E_RNA)
where:
Base-Base interactions energy: -1000.404
where: short stacking energy: -438.962
Base-Backbone interact. energy: 1.876
local terms energy: -463.084662
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -85.497
flat angles C4'-P-C4' energy: -95.940
flat angles P-C4'-P energy: -62.931
tors. eta vs tors. theta energy: -131.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1352.857112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.857112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.857112 (E_RNA)
where:
Base-Base interactions energy: -923.358
where: short stacking energy: -398.939
Base-Backbone interact. energy: -0.814
local terms energy: -428.684819
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -83.384
flat angles C4'-P-C4' energy: -99.833
flat angles P-C4'-P energy: -53.281
tors. eta vs tors. theta energy: -110.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1193.652011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.652011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.652011 (E_RNA)
where:
Base-Base interactions energy: -829.385
where: short stacking energy: -359.169
Base-Backbone interact. energy: -2.331
local terms energy: -361.936168
where:
bonds (distance) C4'-P energy: -66.072
bonds (distance) P-C4' energy: -77.586
flat angles C4'-P-C4' energy: -86.148
flat angles P-C4'-P energy: -55.908
tors. eta vs tors. theta energy: -76.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1214.767384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.767384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.767384 (E_RNA)
where:
Base-Base interactions energy: -813.349
where: short stacking energy: -362.811
Base-Backbone interact. energy: -1.029
local terms energy: -400.389180
where:
bonds (distance) C4'-P energy: -76.448
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -95.077
flat angles P-C4'-P energy: -57.629
tors. eta vs tors. theta energy: -89.255
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: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1011.983742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.983742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.983742 (E_RNA)
where:
Base-Base interactions energy: -665.480
where: short stacking energy: -290.399
Base-Backbone interact. energy: -0.801
local terms energy: -345.702263
where:
bonds (distance) C4'-P energy: -86.149
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -78.330
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -58.405
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -714.095580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.095580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.095580 (E_RNA)
where:
Base-Base interactions energy: -406.315
where: short stacking energy: -214.115
Base-Backbone interact. energy: -2.047
local terms energy: -305.733372
where:
bonds (distance) C4'-P energy: -68.675
bonds (distance) P-C4' energy: -90.290
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: -34.712
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: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -477.159615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.159615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.159615 (E_RNA)
where:
Base-Base interactions energy: -238.999
where: short stacking energy: -141.635
Base-Backbone interact. energy: -0.571
local terms energy: -237.590012
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: 9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1713.659001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.659001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.659001 (E_RNA)
where:
Base-Base interactions energy: -1189.680
where: short stacking energy: -522.141
Base-Backbone interact. energy: -2.458
local terms energy: -521.521361
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -96.191
flat angles C4'-P-C4' energy: -110.035
flat angles P-C4'-P energy: -77.783
tors. eta vs tors. theta energy: -140.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1599.433556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.433556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.433556 (E_RNA)
where:
Base-Base interactions energy: -1115.604
where: short stacking energy: -483.636
Base-Backbone interact. energy: -2.662
local terms energy: -481.166807
where:
bonds (distance) C4'-P energy: -103.150
bonds (distance) P-C4' energy: -84.324
flat angles C4'-P-C4' energy: -95.021
flat angles P-C4'-P energy: -65.800
tors. eta vs tors. theta energy: -132.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1544.565583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.565583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.565583 (E_RNA)
where:
Base-Base interactions energy: -1088.069
where: short stacking energy: -455.922
Base-Backbone interact. energy: -3.290
local terms energy: -453.206128
where:
bonds (distance) C4'-P energy: -79.914
bonds (distance) P-C4' energy: -81.051
flat angles C4'-P-C4' energy: -99.458
flat angles P-C4'-P energy: -60.129
tors. eta vs tors. theta energy: -132.654
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: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1416.233674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.233674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.233674 (E_RNA)
where:
Base-Base interactions energy: -958.940
where: short stacking energy: -439.047
Base-Backbone interact. energy: -1.139
local terms energy: -456.154527
where:
bonds (distance) C4'-P energy: -81.097
bonds (distance) P-C4' energy: -95.551
flat angles C4'-P-C4' energy: -99.134
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -130.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1365.102940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.102940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.102940 (E_RNA)
where:
Base-Base interactions energy: -913.751
where: short stacking energy: -395.043
Base-Backbone interact. energy: 0.016
local terms energy: -451.367684
where:
bonds (distance) C4'-P energy: -88.843
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -92.721
flat angles P-C4'-P energy: -60.800
tors. eta vs tors. theta energy: -119.444
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: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1245.206745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.206745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.206745 (E_RNA)
where:
Base-Base interactions energy: -857.884
where: short stacking energy: -388.490
Base-Backbone interact. energy: -1.290
local terms energy: -386.032775
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -86.369
flat angles P-C4'-P energy: -45.998
tors. eta vs tors. theta energy: -104.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1206.515239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.515239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.515239 (E_RNA)
where:
Base-Base interactions energy: -828.397
where: short stacking energy: -323.078
Base-Backbone interact. energy: -1.224
local terms energy: -376.894216
where:
bonds (distance) C4'-P energy: -74.889
bonds (distance) P-C4' energy: -74.951
flat angles C4'-P-C4' energy: -91.514
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -82.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1041.901749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.901749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.901749 (E_RNA)
where:
Base-Base interactions energy: -677.513
where: short stacking energy: -295.443
Base-Backbone interact. energy: 0.316
local terms energy: -364.704625
where:
bonds (distance) C4'-P energy: -78.985
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -82.024
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -64.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -743.717067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.717067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.717067 (E_RNA)
where:
Base-Base interactions energy: -456.558
where: short stacking energy: -226.110
Base-Backbone interact. energy: 2.758
local terms energy: -289.916379
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -71.484
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -51.875
tors. eta vs tors. theta energy: -22.100
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: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -513.167166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.167166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.167166 (E_RNA)
where:
Base-Base interactions energy: -261.150
where: short stacking energy: -126.915
Base-Backbone interact. energy: -1.575
local terms energy: -250.441569
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -70.166
flat angles P-C4'-P energy: -45.242
tors. eta vs tors. theta energy: 9.955
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: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1710.145324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.145324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.145324 (E_RNA)
where:
Base-Base interactions energy: -1189.459
where: short stacking energy: -523.296
Base-Backbone interact. energy: -1.883
local terms energy: -518.803633
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -105.496
flat angles C4'-P-C4' energy: -104.256
flat angles P-C4'-P energy: -75.993
tors. eta vs tors. theta energy: -145.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1582.695768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.695768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.695768 (E_RNA)
where:
Base-Base interactions energy: -1095.422
where: short stacking energy: -456.915
Base-Backbone interact. energy: -4.132
local terms energy: -483.142044
where:
bonds (distance) C4'-P energy: -99.866
bonds (distance) P-C4' energy: -80.832
flat angles C4'-P-C4' energy: -98.114
flat angles P-C4'-P energy: -73.642
tors. eta vs tors. theta energy: -130.688
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: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1549.747942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.747942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.747942 (E_RNA)
where:
Base-Base interactions energy: -1065.018
where: short stacking energy: -481.207
Base-Backbone interact. energy: -3.815
local terms energy: -480.914891
where:
bonds (distance) C4'-P energy: -83.511
bonds (distance) P-C4' energy: -92.700
flat angles C4'-P-C4' energy: -110.643
flat angles P-C4'-P energy: -67.894
tors. eta vs tors. theta energy: -126.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1425.668789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.668789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.668789 (E_RNA)
where:
Base-Base interactions energy: -956.286
where: short stacking energy: -449.934
Base-Backbone interact. energy: -0.695
local terms energy: -468.687636
where:
bonds (distance) C4'-P energy: -87.882
bonds (distance) P-C4' energy: -85.721
flat angles C4'-P-C4' energy: -97.188
flat angles P-C4'-P energy: -62.892
tors. eta vs tors. theta energy: -135.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1353.980162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.980162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.980162 (E_RNA)
where:
Base-Base interactions energy: -929.004
where: short stacking energy: -406.863
Base-Backbone interact. energy: -0.336
local terms energy: -424.640047
where:
bonds (distance) C4'-P energy: -78.899
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -94.301
flat angles P-C4'-P energy: -54.498
tors. eta vs tors. theta energy: -114.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1288.233829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.233829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.233829 (E_RNA)
where:
Base-Base interactions energy: -864.990
where: short stacking energy: -387.982
Base-Backbone interact. energy: -1.519
local terms energy: -421.725275
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -88.476
flat angles P-C4'-P energy: -57.057
tors. eta vs tors. theta energy: -103.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1193.536334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.536334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.536334 (E_RNA)
where:
Base-Base interactions energy: -823.836
where: short stacking energy: -340.400
Base-Backbone interact. energy: 0.475
local terms energy: -370.174900
where:
bonds (distance) C4'-P energy: -79.583
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -94.187
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -74.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1056.215701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.215701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.215701 (E_RNA)
where:
Base-Base interactions energy: -692.894
where: short stacking energy: -306.110
Base-Backbone interact. energy: -1.754
local terms energy: -361.568197
where:
bonds (distance) C4'-P energy: -73.348
bonds (distance) P-C4' energy: -77.106
flat angles C4'-P-C4' energy: -88.821
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -72.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -751.499812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.499812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.499812 (E_RNA)
where:
Base-Base interactions energy: -470.197
where: short stacking energy: -229.697
Base-Backbone interact. energy: -1.309
local terms energy: -279.994592
where:
bonds (distance) C4'-P energy: -69.564
bonds (distance) P-C4' energy: -67.510
flat angles C4'-P-C4' energy: -68.849
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -545.066546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.066546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.066546 (E_RNA)
where:
Base-Base interactions energy: -288.267
where: short stacking energy: -147.909
Base-Backbone interact. energy: 0.574
local terms energy: -257.373726
where:
bonds (distance) C4'-P energy: -63.626
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -36.644
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1687.986963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.986963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.986963 (E_RNA)
where:
Base-Base interactions energy: -1178.254
where: short stacking energy: -526.853
Base-Backbone interact. energy: -1.824
local terms energy: -507.908997
where:
bonds (distance) C4'-P energy: -92.410
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -101.183
flat angles P-C4'-P energy: -73.609
tors. eta vs tors. theta energy: -146.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1598.383912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.383912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.383912 (E_RNA)
where:
Base-Base interactions energy: -1103.821
where: short stacking energy: -461.611
Base-Backbone interact. energy: -0.306
local terms energy: -494.255984
where:
bonds (distance) C4'-P energy: -97.678
bonds (distance) P-C4' energy: -96.243
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -61.661
tors. eta vs tors. theta energy: -138.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1543.714698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.714698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.714698 (E_RNA)
where:
Base-Base interactions energy: -1070.900
where: short stacking energy: -473.261
Base-Backbone interact. energy: 5.437
local terms energy: -478.251204
where:
bonds (distance) C4'-P energy: -79.876
bonds (distance) P-C4' energy: -90.804
flat angles C4'-P-C4' energy: -105.411
flat angles P-C4'-P energy: -68.976
tors. eta vs tors. theta energy: -133.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1449.303887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.303887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.303887 (E_RNA)
where:
Base-Base interactions energy: -992.663
where: short stacking energy: -473.752
Base-Backbone interact. energy: -0.228
local terms energy: -456.412399
where:
bonds (distance) C4'-P energy: -81.018
bonds (distance) P-C4' energy: -84.119
flat angles C4'-P-C4' energy: -98.496
flat angles P-C4'-P energy: -57.978
tors. eta vs tors. theta energy: -134.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1356.656124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.656124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.656124 (E_RNA)
where:
Base-Base interactions energy: -914.748
where: short stacking energy: -412.856
Base-Backbone interact. energy: -3.231
local terms energy: -438.677625
where:
bonds (distance) C4'-P energy: -80.103
bonds (distance) P-C4' energy: -79.191
flat angles C4'-P-C4' energy: -96.999
flat angles P-C4'-P energy: -57.408
tors. eta vs tors. theta energy: -124.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1252.460186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.460186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.460186 (E_RNA)
where:
Base-Base interactions energy: -855.133
where: short stacking energy: -389.610
Base-Backbone interact. energy: -1.059
local terms energy: -396.268865
where:
bonds (distance) C4'-P energy: -69.565
bonds (distance) P-C4' energy: -79.069
flat angles C4'-P-C4' energy: -90.543
flat angles P-C4'-P energy: -58.802
tors. eta vs tors. theta energy: -98.289
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: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1152.475045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.475045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.475045 (E_RNA)
where:
Base-Base interactions energy: -787.440
where: short stacking energy: -358.710
Base-Backbone interact. energy: 1.168
local terms energy: -366.203512
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -77.109
flat angles C4'-P-C4' energy: -83.901
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -85.072
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: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1038.112603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.112603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.112603 (E_RNA)
where:
Base-Base interactions energy: -687.888
where: short stacking energy: -294.177
Base-Backbone interact. energy: -5.478
local terms energy: -344.746744
where:
bonds (distance) C4'-P energy: -70.240
bonds (distance) P-C4' energy: -76.036
flat angles C4'-P-C4' energy: -73.737
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -74.625
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: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -779.283981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.283981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.283981 (E_RNA)
where:
Base-Base interactions energy: -453.715
where: short stacking energy: -214.635
Base-Backbone interact. energy: 0.968
local terms energy: -326.536344
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -80.681
flat angles C4'-P-C4' energy: -77.879
flat angles P-C4'-P energy: -44.932
tors. eta vs tors. theta energy: -42.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -577.417918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.417918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.417918 (E_RNA)
where:
Base-Base interactions energy: -322.901
where: short stacking energy: -185.919
Base-Backbone interact. energy: 2.743
local terms energy: -257.259779
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -84.627
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1692.596764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.596764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.596764 (E_RNA)
where:
Base-Base interactions energy: -1172.494
where: short stacking energy: -524.660
Base-Backbone interact. energy: -3.400
local terms energy: -516.703157
where:
bonds (distance) C4'-P energy: -91.872
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -104.246
flat angles P-C4'-P energy: -78.847
tors. eta vs tors. theta energy: -142.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1605.386648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.386648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.386648 (E_RNA)
where:
Base-Base interactions energy: -1097.023
where: short stacking energy: -484.113
Base-Backbone interact. energy: 0.031
local terms energy: -508.395144
where:
bonds (distance) C4'-P energy: -89.853
bonds (distance) P-C4' energy: -89.844
flat angles C4'-P-C4' energy: -111.406
flat angles P-C4'-P energy: -72.448
tors. eta vs tors. theta energy: -144.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1488.050996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.050996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.050996 (E_RNA)
where:
Base-Base interactions energy: -1008.645
where: short stacking energy: -475.019
Base-Backbone interact. energy: 1.305
local terms energy: -480.710561
where:
bonds (distance) C4'-P energy: -85.476
bonds (distance) P-C4' energy: -93.564
flat angles C4'-P-C4' energy: -93.804
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -137.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1541.010243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.010243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.010243 (E_RNA)
where:
Base-Base interactions energy: -1053.764
where: short stacking energy: -449.844
Base-Backbone interact. energy: -1.633
local terms energy: -485.613280
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -91.979
flat angles C4'-P-C4' energy: -104.113
flat angles P-C4'-P energy: -67.392
tors. eta vs tors. theta energy: -134.687
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: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1328.031317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.031317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.031317 (E_RNA)
where:
Base-Base interactions energy: -906.099
where: short stacking energy: -407.662
Base-Backbone interact. energy: -1.583
local terms energy: -420.349631
where:
bonds (distance) C4'-P energy: -72.718
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -85.723
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -118.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1238.359487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.359487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.359487 (E_RNA)
where:
Base-Base interactions energy: -864.572
where: short stacking energy: -377.931
Base-Backbone interact. energy: -2.745
local terms energy: -371.042289
where:
bonds (distance) C4'-P energy: -65.757
bonds (distance) P-C4' energy: -72.196
flat angles C4'-P-C4' energy: -80.155
flat angles P-C4'-P energy: -56.236
tors. eta vs tors. theta energy: -96.698
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: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1114.155101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.155101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.155101 (E_RNA)
where:
Base-Base interactions energy: -738.510
where: short stacking energy: -326.436
Base-Backbone interact. energy: -2.722
local terms energy: -372.923101
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -94.187
flat angles C4'-P-C4' energy: -81.202
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -71.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1043.889993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.889993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.889993 (E_RNA)
where:
Base-Base interactions energy: -716.273
where: short stacking energy: -309.172
Base-Backbone interact. energy: -1.164
local terms energy: -326.453725
where:
bonds (distance) C4'-P energy: -68.259
bonds (distance) P-C4' energy: -71.599
flat angles C4'-P-C4' energy: -77.837
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -62.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -740.720698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.720698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.720698 (E_RNA)
where:
Base-Base interactions energy: -411.671
where: short stacking energy: -205.409
Base-Backbone interact. energy: -4.594
local terms energy: -324.455893
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -86.793
flat angles C4'-P-C4' energy: -81.897
flat angles P-C4'-P energy: -51.691
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -597.993194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.993194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.993194 (E_RNA)
where:
Base-Base interactions energy: -337.693
where: short stacking energy: -185.096
Base-Backbone interact. energy: 2.542
local terms energy: -262.842384
where:
bonds (distance) C4'-P energy: -78.472
bonds (distance) P-C4' energy: -67.061
flat angles C4'-P-C4' energy: -66.533
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1700.387793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.387793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.387793 (E_RNA)
where:
Base-Base interactions energy: -1193.976
where: short stacking energy: -519.366
Base-Backbone interact. energy: -1.727
local terms energy: -504.685015
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -87.282
flat angles C4'-P-C4' energy: -106.936
flat angles P-C4'-P energy: -73.157
tors. eta vs tors. theta energy: -147.121
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: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1595.906975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.906975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.906975 (E_RNA)
where:
Base-Base interactions energy: -1105.180
where: short stacking energy: -477.921
Base-Backbone interact. energy: -1.548
local terms energy: -489.178573
where:
bonds (distance) C4'-P energy: -93.547
bonds (distance) P-C4' energy: -90.960
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -69.787
tors. eta vs tors. theta energy: -137.264
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1502.650474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.650474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.650474 (E_RNA)
where:
Base-Base interactions energy: -1010.463
where: short stacking energy: -474.359
Base-Backbone interact. energy: 0.709
local terms energy: -492.896045
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -86.543
flat angles C4'-P-C4' energy: -100.243
flat angles P-C4'-P energy: -75.732
tors. eta vs tors. theta energy: -136.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1505.425944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.425944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.425944 (E_RNA)
where:
Base-Base interactions energy: -1058.772
where: short stacking energy: -450.323
Base-Backbone interact. energy: -2.831
local terms energy: -443.822899
where:
bonds (distance) C4'-P energy: -79.821
bonds (distance) P-C4' energy: -72.408
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -63.781
tors. eta vs tors. theta energy: -130.294
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: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1382.452409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.452409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.452409 (E_RNA)
where:
Base-Base interactions energy: -944.842
where: short stacking energy: -411.254
Base-Backbone interact. energy: -0.875
local terms energy: -436.735328
where:
bonds (distance) C4'-P energy: -76.523
bonds (distance) P-C4' energy: -81.281
flat angles C4'-P-C4' energy: -90.434
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -124.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1246.636102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.636102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.636102 (E_RNA)
where:
Base-Base interactions energy: -845.066
where: short stacking energy: -352.567
Base-Backbone interact. energy: 2.578
local terms energy: -404.148821
where:
bonds (distance) C4'-P energy: -74.641
bonds (distance) P-C4' energy: -86.299
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -58.339
tors. eta vs tors. theta energy: -104.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1128.582942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.582942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.582942 (E_RNA)
where:
Base-Base interactions energy: -743.598
where: short stacking energy: -331.880
Base-Backbone interact. energy: 4.155
local terms energy: -389.139414
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -90.324
flat angles P-C4'-P energy: -63.568
tors. eta vs tors. theta energy: -73.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1047.294140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.294140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.294140 (E_RNA)
where:
Base-Base interactions energy: -694.525
where: short stacking energy: -299.126
Base-Backbone interact. energy: 9.826
local terms energy: -362.594568
where:
bonds (distance) C4'-P energy: -85.955
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -71.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -707.189582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.189582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.189582 (E_RNA)
where:
Base-Base interactions energy: -408.488
where: short stacking energy: -198.708
Base-Backbone interact. energy: 1.034
local terms energy: -299.735664
where:
bonds (distance) C4'-P energy: -72.115
bonds (distance) P-C4' energy: -78.869
flat angles C4'-P-C4' energy: -61.964
flat angles P-C4'-P energy: -53.562
tors. eta vs tors. theta energy: -33.226
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: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -507.982392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.982392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.982392 (E_RNA)
where:
Base-Base interactions energy: -242.532
where: short stacking energy: -152.748
Base-Backbone interact. energy: -2.780
local terms energy: -262.670708
where:
bonds (distance) C4'-P energy: -73.989
bonds (distance) P-C4' energy: -74.925
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1696.328867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.328867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.328867 (E_RNA)
where:
Base-Base interactions energy: -1194.470
where: short stacking energy: -511.922
Base-Backbone interact. energy: -1.007
local terms energy: -500.851948
where:
bonds (distance) C4'-P energy: -83.683
bonds (distance) P-C4' energy: -90.520
flat angles C4'-P-C4' energy: -104.322
flat angles P-C4'-P energy: -76.577
tors. eta vs tors. theta energy: -145.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1562.900745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.900745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.900745 (E_RNA)
where:
Base-Base interactions energy: -1083.138
where: short stacking energy: -481.028
Base-Backbone interact. energy: -1.099
local terms energy: -478.663738
where:
bonds (distance) C4'-P energy: -88.151
bonds (distance) P-C4' energy: -89.259
flat angles C4'-P-C4' energy: -100.200
flat angles P-C4'-P energy: -59.724
tors. eta vs tors. theta energy: -141.330
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: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1508.413389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.413389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.413389 (E_RNA)
where:
Base-Base interactions energy: -1016.888
where: short stacking energy: -478.440
Base-Backbone interact. energy: 1.534
local terms energy: -493.059120
where:
bonds (distance) C4'-P energy: -85.388
bonds (distance) P-C4' energy: -97.191
flat angles C4'-P-C4' energy: -103.656
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -138.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1500.930371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.930371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.930371 (E_RNA)
where:
Base-Base interactions energy: -1042.012
where: short stacking energy: -442.314
Base-Backbone interact. energy: -1.848
local terms energy: -457.070660
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -91.956
flat angles C4'-P-C4' energy: -93.644
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -131.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1389.644063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.644063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.644063 (E_RNA)
where:
Base-Base interactions energy: -973.879
where: short stacking energy: -414.666
Base-Backbone interact. energy: -1.176
local terms energy: -414.588340
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -104.609
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -111.222
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1260.851898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.851898 (E_RNA)
where:
Base-Base interactions energy: -854.842
where: short stacking energy: -366.555
Base-Backbone interact. energy: 2.611
local terms energy: -408.620988
where:
bonds (distance) C4'-P energy: -78.862
bonds (distance) P-C4' energy: -94.331
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -88.970
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: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1090.399539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.399539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.399539 (E_RNA)
where:
Base-Base interactions energy: -730.310
where: short stacking energy: -314.203
Base-Backbone interact. energy: -0.752
local terms energy: -359.338244
where:
bonds (distance) C4'-P energy: -84.416
bonds (distance) P-C4' energy: -89.326
flat angles C4'-P-C4' energy: -69.712
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -73.999
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: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1050.554340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.554340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.554340 (E_RNA)
where:
Base-Base interactions energy: -682.318
where: short stacking energy: -292.764
Base-Backbone interact. energy: -0.193
local terms energy: -368.043985
where:
bonds (distance) C4'-P energy: -76.160
bonds (distance) P-C4' energy: -87.469
flat angles C4'-P-C4' energy: -84.157
flat angles P-C4'-P energy: -54.904
tors. eta vs tors. theta energy: -65.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -742.935556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.935556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.935556 (E_RNA)
where:
Base-Base interactions energy: -457.642
where: short stacking energy: -226.829
Base-Backbone interact. energy: -0.019
local terms energy: -285.274299
where:
bonds (distance) C4'-P energy: -67.205
bonds (distance) P-C4' energy: -83.509
flat angles C4'-P-C4' energy: -68.695
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -35.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -495.357478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.357478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.357478 (E_RNA)
where:
Base-Base interactions energy: -235.615
where: short stacking energy: -146.684
Base-Backbone interact. energy: -1.891
local terms energy: -257.851570
where:
bonds (distance) C4'-P energy: -76.862
bonds (distance) P-C4' energy: -88.812
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -2.652
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: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1691.215855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.215855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.215855 (E_RNA)
where:
Base-Base interactions energy: -1182.767
where: short stacking energy: -516.666
Base-Backbone interact. energy: -0.686
local terms energy: -507.762230
where:
bonds (distance) C4'-P energy: -95.533
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -74.971
tors. eta vs tors. theta energy: -150.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1616.019049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.019049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.019049 (E_RNA)
where:
Base-Base interactions energy: -1128.818
where: short stacking energy: -482.983
Base-Backbone interact. energy: -2.955
local terms energy: -484.245606
where:
bonds (distance) C4'-P energy: -76.220
bonds (distance) P-C4' energy: -86.061
flat angles C4'-P-C4' energy: -104.770
flat angles P-C4'-P energy: -64.289
tors. eta vs tors. theta energy: -152.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1477.606115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.606115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.606115 (E_RNA)
where:
Base-Base interactions energy: -992.980
where: short stacking energy: -475.192
Base-Backbone interact. energy: -0.557
local terms energy: -484.069299
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -83.788
flat angles C4'-P-C4' energy: -105.437
flat angles P-C4'-P energy: -74.522
tors. eta vs tors. theta energy: -139.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1499.331558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.331558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.331558 (E_RNA)
where:
Base-Base interactions energy: -1045.046
where: short stacking energy: -461.451
Base-Backbone interact. energy: -2.972
local terms energy: -451.313834
where:
bonds (distance) C4'-P energy: -82.849
bonds (distance) P-C4' energy: -77.675
flat angles C4'-P-C4' energy: -101.207
flat angles P-C4'-P energy: -68.065
tors. eta vs tors. theta energy: -121.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1362.336601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.336601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.336601 (E_RNA)
where:
Base-Base interactions energy: -929.159
where: short stacking energy: -411.179
Base-Backbone interact. energy: -1.709
local terms energy: -431.468043
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -76.307
flat angles C4'-P-C4' energy: -85.743
flat angles P-C4'-P energy: -63.353
tors. eta vs tors. theta energy: -115.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1287.227722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.227722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.227722 (E_RNA)
where:
Base-Base interactions energy: -881.063
where: short stacking energy: -395.450
Base-Backbone interact. energy: -0.258
local terms energy: -405.907409
where:
bonds (distance) C4'-P energy: -75.027
bonds (distance) P-C4' energy: -81.889
flat angles C4'-P-C4' energy: -90.785
flat angles P-C4'-P energy: -54.965
tors. eta vs tors. theta energy: -103.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1107.849976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.849976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.849976 (E_RNA)
where:
Base-Base interactions energy: -755.776
where: short stacking energy: -316.781
Base-Backbone interact. energy: -0.858
local terms energy: -351.216073
where:
bonds (distance) C4'-P energy: -68.179
bonds (distance) P-C4' energy: -84.459
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -65.422
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: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1068.471474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.471474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.471474 (E_RNA)
where:
Base-Base interactions energy: -714.342
where: short stacking energy: -310.011
Base-Backbone interact. energy: 0.428
local terms energy: -354.557791
where:
bonds (distance) C4'-P energy: -82.598
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -84.868
flat angles P-C4'-P energy: -60.767
tors. eta vs tors. theta energy: -58.741
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: 399
Temperature: 1.300000
Total energy: -734.903540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.903540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.903540 (E_RNA)
where:
Base-Base interactions energy: -414.024
where: short stacking energy: -197.619
Base-Backbone interact. energy: 2.654
local terms energy: -323.533495
where:
bonds (distance) C4'-P energy: -81.157
bonds (distance) P-C4' energy: -82.277
flat angles C4'-P-C4' energy: -75.050
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: -31.536
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: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -504.978759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.978759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.978759 (E_RNA)
where:
Base-Base interactions energy: -245.017
where: short stacking energy: -154.986
Base-Backbone interact. energy: -1.838
local terms energy: -258.123782
where:
bonds (distance) C4'-P energy: -73.982
bonds (distance) P-C4' energy: -75.386
flat angles C4'-P-C4' energy: -76.264
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1693.039014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.039014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.039014 (E_RNA)
where:
Base-Base interactions energy: -1187.629
where: short stacking energy: -514.434
Base-Backbone interact. energy: -2.753
local terms energy: -502.657359
where:
bonds (distance) C4'-P energy: -95.870
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -106.167
flat angles P-C4'-P energy: -77.603
tors. eta vs tors. theta energy: -148.133
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1592.929168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.929168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.929168 (E_RNA)
where:
Base-Base interactions energy: -1108.715
where: short stacking energy: -477.222
Base-Backbone interact. energy: -1.950
local terms energy: -482.263995
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -95.133
flat angles C4'-P-C4' energy: -96.350
flat angles P-C4'-P energy: -65.128
tors. eta vs tors. theta energy: -139.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1463.028896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.028896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.028896 (E_RNA)
where:
Base-Base interactions energy: -989.410
where: short stacking energy: -460.255
Base-Backbone interact. energy: -0.252
local terms energy: -473.366119
where:
bonds (distance) C4'-P energy: -78.743
bonds (distance) P-C4' energy: -86.100
flat angles C4'-P-C4' energy: -106.504
flat angles P-C4'-P energy: -65.973
tors. eta vs tors. theta energy: -136.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1511.733137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.733137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.733137 (E_RNA)
where:
Base-Base interactions energy: -1071.290
where: short stacking energy: -453.609
Base-Backbone interact. energy: -6.258
local terms energy: -434.185034
where:
bonds (distance) C4'-P energy: -70.395
bonds (distance) P-C4' energy: -91.601
flat angles C4'-P-C4' energy: -90.098
flat angles P-C4'-P energy: -56.888
tors. eta vs tors. theta energy: -125.203
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: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1395.303470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.303470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.303470 (E_RNA)
where:
Base-Base interactions energy: -959.626
where: short stacking energy: -437.693
Base-Backbone interact. energy: -2.807
local terms energy: -432.869965
where:
bonds (distance) C4'-P energy: -70.248
bonds (distance) P-C4' energy: -89.101
flat angles C4'-P-C4' energy: -98.736
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -114.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1347.017059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.017059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.017059 (E_RNA)
where:
Base-Base interactions energy: -941.307
where: short stacking energy: -412.776
Base-Backbone interact. energy: -1.375
local terms energy: -404.334642
where:
bonds (distance) C4'-P energy: -73.390
bonds (distance) P-C4' energy: -75.068
flat angles C4'-P-C4' energy: -83.426
flat angles P-C4'-P energy: -61.657
tors. eta vs tors. theta energy: -110.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1135.972488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.972488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.972488 (E_RNA)
where:
Base-Base interactions energy: -779.694
where: short stacking energy: -316.778
Base-Backbone interact. energy: -2.888
local terms energy: -353.390091
where:
bonds (distance) C4'-P energy: -77.262
bonds (distance) P-C4' energy: -70.853
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: -70.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1125.623820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.623820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.623820 (E_RNA)
where:
Base-Base interactions energy: -744.321
where: short stacking energy: -321.996
Base-Backbone interact. energy: 1.015
local terms energy: -382.318039
where:
bonds (distance) C4'-P energy: -89.827
bonds (distance) P-C4' energy: -71.597
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -58.184
tors. eta vs tors. theta energy: -77.159
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: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -741.477147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.477147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.477147 (E_RNA)
where:
Base-Base interactions energy: -438.011
where: short stacking energy: -230.515
Base-Backbone interact. energy: -0.955
local terms energy: -302.511014
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -82.443
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -515.715041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.715041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.715041 (E_RNA)
where:
Base-Base interactions energy: -263.179
where: short stacking energy: -137.466
Base-Backbone interact. energy: -1.710
local terms energy: -250.825729
where:
bonds (distance) C4'-P energy: -74.769
bonds (distance) P-C4' energy: -75.833
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1700.971048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.971048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.971048 (E_RNA)
where:
Base-Base interactions energy: -1189.792
where: short stacking energy: -512.584
Base-Backbone interact. energy: -5.267
local terms energy: -505.911960
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -89.757
flat angles C4'-P-C4' energy: -98.838
flat angles P-C4'-P energy: -74.282
tors. eta vs tors. theta energy: -149.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1601.769720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.769720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.769720 (E_RNA)
where:
Base-Base interactions energy: -1107.860
where: short stacking energy: -497.131
Base-Backbone interact. energy: -1.647
local terms energy: -492.262119
where:
bonds (distance) C4'-P energy: -87.704
bonds (distance) P-C4' energy: -89.978
flat angles C4'-P-C4' energy: -104.102
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -146.549
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: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1481.559376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.559376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.559376 (E_RNA)
where:
Base-Base interactions energy: -1002.292
where: short stacking energy: -450.425
Base-Backbone interact. energy: -2.502
local terms energy: -476.764947
where:
bonds (distance) C4'-P energy: -90.320
bonds (distance) P-C4' energy: -95.922
flat angles C4'-P-C4' energy: -85.893
flat angles P-C4'-P energy: -67.182
tors. eta vs tors. theta energy: -137.448
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1494.526009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.526009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.526009 (E_RNA)
where:
Base-Base interactions energy: -1036.672
where: short stacking energy: -441.307
Base-Backbone interact. energy: -1.389
local terms energy: -456.465086
where:
bonds (distance) C4'-P energy: -81.188
bonds (distance) P-C4' energy: -86.675
flat angles C4'-P-C4' energy: -99.516
flat angles P-C4'-P energy: -63.929
tors. eta vs tors. theta energy: -125.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1383.335590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.335590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.335590 (E_RNA)
where:
Base-Base interactions energy: -947.071
where: short stacking energy: -410.966
Base-Backbone interact. energy: -1.311
local terms energy: -434.953742
where:
bonds (distance) C4'-P energy: -78.216
bonds (distance) P-C4' energy: -84.540
flat angles C4'-P-C4' energy: -100.993
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -115.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1315.307442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.307442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.307442 (E_RNA)
where:
Base-Base interactions energy: -903.651
where: short stacking energy: -407.568
Base-Backbone interact. energy: -2.010
local terms energy: -409.646891
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -87.864
flat angles P-C4'-P energy: -59.643
tors. eta vs tors. theta energy: -108.309
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: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1171.847436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.847436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.847436 (E_RNA)
where:
Base-Base interactions energy: -805.276
where: short stacking energy: -351.947
Base-Backbone interact. energy: 2.144
local terms energy: -368.715213
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -54.880
tors. eta vs tors. theta energy: -88.230
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: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1119.127737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.127737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.127737 (E_RNA)
where:
Base-Base interactions energy: -754.480
where: short stacking energy: -327.987
Base-Backbone interact. energy: -1.087
local terms energy: -363.560758
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -91.784
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -79.577
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: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -774.453379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.453379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.453379 (E_RNA)
where:
Base-Base interactions energy: -481.109
where: short stacking energy: -245.879
Base-Backbone interact. energy: -1.208
local terms energy: -292.135917
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -70.686
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -30.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -511.890233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.890233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.890233 (E_RNA)
where:
Base-Base interactions energy: -266.068
where: short stacking energy: -140.951
Base-Backbone interact. energy: -2.975
local terms energy: -242.847085
where:
bonds (distance) C4'-P energy: -70.881
bonds (distance) P-C4' energy: -75.842
flat angles C4'-P-C4' energy: -62.700
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: 8.691
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: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1685.865762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.865762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.865762 (E_RNA)
where:
Base-Base interactions energy: -1184.755
where: short stacking energy: -524.156
Base-Backbone interact. energy: -1.347
local terms energy: -499.763961
where:
bonds (distance) C4'-P energy: -77.298
bonds (distance) P-C4' energy: -99.214
flat angles C4'-P-C4' energy: -105.870
flat angles P-C4'-P energy: -69.497
tors. eta vs tors. theta energy: -147.885
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: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1593.021903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.021903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.021903 (E_RNA)
where:
Base-Base interactions energy: -1103.387
where: short stacking energy: -476.805
Base-Backbone interact. energy: -1.688
local terms energy: -487.946435
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -93.064
flat angles C4'-P-C4' energy: -107.475
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: -141.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1495.169562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.169562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.169562 (E_RNA)
where:
Base-Base interactions energy: -1036.811
where: short stacking energy: -462.535
Base-Backbone interact. energy: 0.155
local terms energy: -458.513642
where:
bonds (distance) C4'-P energy: -83.846
bonds (distance) P-C4' energy: -75.339
flat angles C4'-P-C4' energy: -90.148
flat angles P-C4'-P energy: -64.713
tors. eta vs tors. theta energy: -144.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1482.076502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.076502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.076502 (E_RNA)
where:
Base-Base interactions energy: -1027.319
where: short stacking energy: -452.090
Base-Backbone interact. energy: 0.621
local terms energy: -455.378005
where:
bonds (distance) C4'-P energy: -78.092
bonds (distance) P-C4' energy: -88.875
flat angles C4'-P-C4' energy: -98.213
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -125.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1403.470386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.470386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.470386 (E_RNA)
where:
Base-Base interactions energy: -934.905
where: short stacking energy: -430.103
Base-Backbone interact. energy: -0.967
local terms energy: -467.598994
where:
bonds (distance) C4'-P energy: -87.180
bonds (distance) P-C4' energy: -89.692
flat angles C4'-P-C4' energy: -95.058
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -121.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1338.245739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.245739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.245739 (E_RNA)
where:
Base-Base interactions energy: -891.139
where: short stacking energy: -382.613
Base-Backbone interact. energy: -2.857
local terms energy: -444.249502
where:
bonds (distance) C4'-P energy: -87.371
bonds (distance) P-C4' energy: -83.483
flat angles C4'-P-C4' energy: -94.171
flat angles P-C4'-P energy: -76.115
tors. eta vs tors. theta energy: -103.110
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: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1140.408212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.408212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.408212 (E_RNA)
where:
Base-Base interactions energy: -748.235
where: short stacking energy: -311.485
Base-Backbone interact. energy: 1.465
local terms energy: -393.638146
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -81.844
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -69.014
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: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1074.420596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.420596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.420596 (E_RNA)
where:
Base-Base interactions energy: -734.264
where: short stacking energy: -341.186
Base-Backbone interact. energy: 10.505
local terms energy: -350.662173
where:
bonds (distance) C4'-P energy: -66.636
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -84.614
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -69.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -717.122350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.122350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.122350 (E_RNA)
where:
Base-Base interactions energy: -406.151
where: short stacking energy: -204.981
Base-Backbone interact. energy: 0.846
local terms energy: -311.816872
where:
bonds (distance) C4'-P energy: -87.160
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -49.482
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: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -566.613866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.613866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.613866 (E_RNA)
where:
Base-Base interactions energy: -296.057
where: short stacking energy: -153.178
Base-Backbone interact. energy: -1.165
local terms energy: -269.392156
where:
bonds (distance) C4'-P energy: -79.647
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1701.849232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.849232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.849232 (E_RNA)
where:
Base-Base interactions energy: -1199.351
where: short stacking energy: -528.163
Base-Backbone interact. energy: -1.355
local terms energy: -501.143056
where:
bonds (distance) C4'-P energy: -81.365
bonds (distance) P-C4' energy: -95.149
flat angles C4'-P-C4' energy: -112.232
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -146.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1598.322177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.322177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.322177 (E_RNA)
where:
Base-Base interactions energy: -1095.582
where: short stacking energy: -477.603
Base-Backbone interact. energy: -2.091
local terms energy: -500.648711
where:
bonds (distance) C4'-P energy: -83.748
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -115.194
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -150.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1496.105152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.105152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.105152 (E_RNA)
where:
Base-Base interactions energy: -1008.615
where: short stacking energy: -469.595
Base-Backbone interact. energy: -0.171
local terms energy: -487.318657
where:
bonds (distance) C4'-P energy: -77.465
bonds (distance) P-C4' energy: -88.400
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -72.166
tors. eta vs tors. theta energy: -140.609
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: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1530.779309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.779309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.779309 (E_RNA)
where:
Base-Base interactions energy: -1055.693
where: short stacking energy: -447.327
Base-Backbone interact. energy: -2.124
local terms energy: -472.962481
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -84.689
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -71.870
tors. eta vs tors. theta energy: -130.427
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1393.845001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.845001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.845001 (E_RNA)
where:
Base-Base interactions energy: -946.389
where: short stacking energy: -427.509
Base-Backbone interact. energy: -1.213
local terms energy: -446.242481
where:
bonds (distance) C4'-P energy: -76.410
bonds (distance) P-C4' energy: -82.873
flat angles C4'-P-C4' energy: -95.774
flat angles P-C4'-P energy: -67.517
tors. eta vs tors. theta energy: -123.669
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: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1291.886529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.886529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.886529 (E_RNA)
where:
Base-Base interactions energy: -849.997
where: short stacking energy: -377.095
Base-Backbone interact. energy: -2.800
local terms energy: -439.089468
where:
bonds (distance) C4'-P energy: -77.586
bonds (distance) P-C4' energy: -83.285
flat angles C4'-P-C4' energy: -103.929
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -97.519
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: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1149.007860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.007860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.007860 (E_RNA)
where:
Base-Base interactions energy: -744.144
where: short stacking energy: -339.962
Base-Backbone interact. energy: -0.662
local terms energy: -404.201769
where:
bonds (distance) C4'-P energy: -84.877
bonds (distance) P-C4' energy: -86.926
flat angles C4'-P-C4' energy: -92.889
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: -84.534
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: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1106.824768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.824768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.824768 (E_RNA)
where:
Base-Base interactions energy: -765.519
where: short stacking energy: -319.173
Base-Backbone interact. energy: 1.201
local terms energy: -342.507389
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -63.207
tors. eta vs tors. theta energy: -72.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -716.509010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.509010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.509010 (E_RNA)
where:
Base-Base interactions energy: -441.531
where: short stacking energy: -247.361
Base-Backbone interact. energy: -1.255
local terms energy: -273.722385
where:
bonds (distance) C4'-P energy: -58.379
bonds (distance) P-C4' energy: -68.776
flat angles C4'-P-C4' energy: -75.691
flat angles P-C4'-P energy: -37.424
tors. eta vs tors. theta energy: -33.453
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: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -564.283394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.283394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.283394 (E_RNA)
where:
Base-Base interactions energy: -304.531
where: short stacking energy: -190.552
Base-Backbone interact. energy: 5.702
local terms energy: -265.454730
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -79.438
flat angles C4'-P-C4' energy: -76.789
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1711.986927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.986927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.986927 (E_RNA)
where:
Base-Base interactions energy: -1203.222
where: short stacking energy: -514.807
Base-Backbone interact. energy: -4.006
local terms energy: -504.758972
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -101.977
flat angles P-C4'-P energy: -65.575
tors. eta vs tors. theta energy: -148.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1599.912362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.912362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.912362 (E_RNA)
where:
Base-Base interactions energy: -1104.391
where: short stacking energy: -480.730
Base-Backbone interact. energy: -2.733
local terms energy: -492.788739
where:
bonds (distance) C4'-P energy: -99.482
bonds (distance) P-C4' energy: -91.135
flat angles C4'-P-C4' energy: -94.008
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -138.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1530.908482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.908482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.908482 (E_RNA)
where:
Base-Base interactions energy: -1040.404
where: short stacking energy: -435.312
Base-Backbone interact. energy: -3.567
local terms energy: -486.937136
where:
bonds (distance) C4'-P energy: -93.568
bonds (distance) P-C4' energy: -84.287
flat angles C4'-P-C4' energy: -108.634
flat angles P-C4'-P energy: -75.219
tors. eta vs tors. theta energy: -125.229
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: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1449.305493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.305493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.305493 (E_RNA)
where:
Base-Base interactions energy: -988.102
where: short stacking energy: -468.098
Base-Backbone interact. energy: -1.209
local terms energy: -459.994659
where:
bonds (distance) C4'-P energy: -72.357
bonds (distance) P-C4' energy: -96.504
flat angles C4'-P-C4' energy: -97.499
flat angles P-C4'-P energy: -59.455
tors. eta vs tors. theta energy: -134.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1390.106056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.106056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.106056 (E_RNA)
where:
Base-Base interactions energy: -935.172
where: short stacking energy: -411.815
Base-Backbone interact. energy: -2.607
local terms energy: -452.327846
where:
bonds (distance) C4'-P energy: -82.465
bonds (distance) P-C4' energy: -87.940
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -122.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1313.938389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.938389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.938389 (E_RNA)
where:
Base-Base interactions energy: -906.286
where: short stacking energy: -394.612
Base-Backbone interact. energy: -2.016
local terms energy: -405.636639
where:
bonds (distance) C4'-P energy: -73.770
bonds (distance) P-C4' energy: -73.347
flat angles C4'-P-C4' energy: -79.680
flat angles P-C4'-P energy: -61.235
tors. eta vs tors. theta energy: -117.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1118.167213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.167213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.167213 (E_RNA)
where:
Base-Base interactions energy: -756.542
where: short stacking energy: -320.183
Base-Backbone interact. energy: 1.104
local terms energy: -362.729558
where:
bonds (distance) C4'-P energy: -64.397
bonds (distance) P-C4' energy: -87.367
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -85.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1147.927078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.927078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.927078 (E_RNA)
where:
Base-Base interactions energy: -785.933
where: short stacking energy: -330.830
Base-Backbone interact. energy: 0.148
local terms energy: -362.142169
where:
bonds (distance) C4'-P energy: -75.667
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -85.821
flat angles P-C4'-P energy: -59.586
tors. eta vs tors. theta energy: -69.829
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: 404
Temperature: 1.300000
Total energy: -721.432623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.432623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.432623 (E_RNA)
where:
Base-Base interactions energy: -425.769
where: short stacking energy: -208.834
Base-Backbone interact. energy: -0.456
local terms energy: -295.208593
where:
bonds (distance) C4'-P energy: -77.367
bonds (distance) P-C4' energy: -76.605
flat angles C4'-P-C4' energy: -87.383
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -578.847202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.847202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.847202 (E_RNA)
where:
Base-Base interactions energy: -301.304
where: short stacking energy: -176.658
Base-Backbone interact. energy: 1.497
local terms energy: -279.041131
where:
bonds (distance) C4'-P energy: -67.382
bonds (distance) P-C4' energy: -82.743
flat angles C4'-P-C4' energy: -62.022
flat angles P-C4'-P energy: -45.474
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: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1678.194973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.194973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.194973 (E_RNA)
where:
Base-Base interactions energy: -1174.116
where: short stacking energy: -498.581
Base-Backbone interact. energy: -5.183
local terms energy: -498.896126
where:
bonds (distance) C4'-P energy: -96.900
bonds (distance) P-C4' energy: -88.447
flat angles C4'-P-C4' energy: -101.220
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -143.300
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: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1595.389241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.389241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.389241 (E_RNA)
where:
Base-Base interactions energy: -1107.814
where: short stacking energy: -478.670
Base-Backbone interact. energy: -2.822
local terms energy: -484.752716
where:
bonds (distance) C4'-P energy: -93.902
bonds (distance) P-C4' energy: -92.826
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -66.866
tors. eta vs tors. theta energy: -137.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1532.438933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.438933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.438933 (E_RNA)
where:
Base-Base interactions energy: -1063.582
where: short stacking energy: -462.006
Base-Backbone interact. energy: -2.104
local terms energy: -466.752937
where:
bonds (distance) C4'-P energy: -84.706
bonds (distance) P-C4' energy: -88.019
flat angles C4'-P-C4' energy: -101.507
flat angles P-C4'-P energy: -70.646
tors. eta vs tors. theta energy: -121.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1417.172862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.172862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.172862 (E_RNA)
where:
Base-Base interactions energy: -972.032
where: short stacking energy: -457.049
Base-Backbone interact. energy: -2.539
local terms energy: -442.601821
where:
bonds (distance) C4'-P energy: -77.332
bonds (distance) P-C4' energy: -89.466
flat angles C4'-P-C4' energy: -95.690
flat angles P-C4'-P energy: -62.994
tors. eta vs tors. theta energy: -117.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1390.102801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.102801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.102801 (E_RNA)
where:
Base-Base interactions energy: -944.099
where: short stacking energy: -426.660
Base-Backbone interact. energy: -2.067
local terms energy: -443.936151
where:
bonds (distance) C4'-P energy: -82.055
bonds (distance) P-C4' energy: -76.746
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -125.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1325.979350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.979350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.979350 (E_RNA)
where:
Base-Base interactions energy: -895.180
where: short stacking energy: -394.037
Base-Backbone interact. energy: -2.427
local terms energy: -428.372293
where:
bonds (distance) C4'-P energy: -76.479
bonds (distance) P-C4' energy: -73.007
flat angles C4'-P-C4' energy: -96.578
flat angles P-C4'-P energy: -63.455
tors. eta vs tors. theta energy: -118.854
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: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1134.068504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.068504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.068504 (E_RNA)
where:
Base-Base interactions energy: -761.135
where: short stacking energy: -344.163
Base-Backbone interact. energy: 0.452
local terms energy: -373.385896
where:
bonds (distance) C4'-P energy: -65.942
bonds (distance) P-C4' energy: -74.088
flat angles C4'-P-C4' energy: -83.080
flat angles P-C4'-P energy: -66.813
tors. eta vs tors. theta energy: -83.463
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: 8, replica: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1140.915335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.915335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.915335 (E_RNA)
where:
Base-Base interactions energy: -760.220
where: short stacking energy: -333.250
Base-Backbone interact. energy: -2.343
local terms energy: -378.352942
where:
bonds (distance) C4'-P energy: -60.623
bonds (distance) P-C4' energy: -87.172
flat angles C4'-P-C4' energy: -95.042
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -82.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -748.474421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.474421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.474421 (E_RNA)
where:
Base-Base interactions energy: -437.891
where: short stacking energy: -240.011
Base-Backbone interact. energy: 1.238
local terms energy: -311.820954
where:
bonds (distance) C4'-P energy: -56.870
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -81.820
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -587.562866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.562866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.562866 (E_RNA)
where:
Base-Base interactions energy: -307.532
where: short stacking energy: -170.035
Base-Backbone interact. energy: -1.140
local terms energy: -278.890485
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -64.758
flat angles P-C4'-P energy: -49.214
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1673.910721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.910721 (E_RNA)
where:
Base-Base interactions energy: -1154.556
where: short stacking energy: -517.519
Base-Backbone interact. energy: -4.134
local terms energy: -515.220471
where:
bonds (distance) C4'-P energy: -84.779
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -111.272
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -146.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1605.380160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.380160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.380160 (E_RNA)
where:
Base-Base interactions energy: -1117.226
where: short stacking energy: -488.346
Base-Backbone interact. energy: -2.501
local terms energy: -485.652995
where:
bonds (distance) C4'-P energy: -92.017
bonds (distance) P-C4' energy: -97.921
flat angles C4'-P-C4' energy: -91.520
flat angles P-C4'-P energy: -63.069
tors. eta vs tors. theta energy: -141.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1511.381609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.381609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.381609 (E_RNA)
where:
Base-Base interactions energy: -1051.299
where: short stacking energy: -453.847
Base-Backbone interact. energy: -3.163
local terms energy: -456.920164
where:
bonds (distance) C4'-P energy: -78.390
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -100.707
flat angles P-C4'-P energy: -62.630
tors. eta vs tors. theta energy: -128.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1442.417906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.417906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.417906 (E_RNA)
where:
Base-Base interactions energy: -982.376
where: short stacking energy: -466.208
Base-Backbone interact. energy: -0.700
local terms energy: -459.341662
where:
bonds (distance) C4'-P energy: -83.495
bonds (distance) P-C4' energy: -77.813
flat angles C4'-P-C4' energy: -102.450
flat angles P-C4'-P energy: -59.320
tors. eta vs tors. theta energy: -136.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1349.773959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.773959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.773959 (E_RNA)
where:
Base-Base interactions energy: -910.570
where: short stacking energy: -388.470
Base-Backbone interact. energy: -1.384
local terms energy: -437.819041
where:
bonds (distance) C4'-P energy: -93.132
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -100.071
flat angles P-C4'-P energy: -65.683
tors. eta vs tors. theta energy: -110.153
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1383.692742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.692742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.692742 (E_RNA)
where:
Base-Base interactions energy: -958.441
where: short stacking energy: -413.236
Base-Backbone interact. energy: -2.904
local terms energy: -422.348024
where:
bonds (distance) C4'-P energy: -65.204
bonds (distance) P-C4' energy: -90.083
flat angles C4'-P-C4' energy: -96.648
flat angles P-C4'-P energy: -56.714
tors. eta vs tors. theta energy: -113.698
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: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1198.216266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.216266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.216266 (E_RNA)
where:
Base-Base interactions energy: -838.065
where: short stacking energy: -373.178
Base-Backbone interact. energy: -0.863
local terms energy: -359.288979
where:
bonds (distance) C4'-P energy: -71.000
bonds (distance) P-C4' energy: -78.108
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -56.039
tors. eta vs tors. theta energy: -83.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1107.513272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.513272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.513272 (E_RNA)
where:
Base-Base interactions energy: -737.138
where: short stacking energy: -322.361
Base-Backbone interact. energy: -2.876
local terms energy: -367.498806
where:
bonds (distance) C4'-P energy: -71.488
bonds (distance) P-C4' energy: -75.858
flat angles C4'-P-C4' energy: -89.587
flat angles P-C4'-P energy: -59.049
tors. eta vs tors. theta energy: -71.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -659.048782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.048782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.048782 (E_RNA)
where:
Base-Base interactions energy: -357.612
where: short stacking energy: -185.968
Base-Backbone interact. energy: 2.775
local terms energy: -304.211762
where:
bonds (distance) C4'-P energy: -69.472
bonds (distance) P-C4' energy: -85.158
flat angles C4'-P-C4' energy: -80.265
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -31.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -640.143192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.143192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.143192 (E_RNA)
where:
Base-Base interactions energy: -353.159
where: short stacking energy: -196.989
Base-Backbone interact. energy: -0.321
local terms energy: -286.662624
where:
bonds (distance) C4'-P energy: -62.411
bonds (distance) P-C4' energy: -91.305
flat angles C4'-P-C4' energy: -72.083
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1674.980975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.980975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.980975 (E_RNA)
where:
Base-Base interactions energy: -1143.010
where: short stacking energy: -508.051
Base-Backbone interact. energy: -3.268
local terms energy: -528.703309
where:
bonds (distance) C4'-P energy: -97.847
bonds (distance) P-C4' energy: -94.261
flat angles C4'-P-C4' energy: -112.046
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -147.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1572.424986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.424986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.424986 (E_RNA)
where:
Base-Base interactions energy: -1111.322
where: short stacking energy: -473.762
Base-Backbone interact. energy: -2.095
local terms energy: -459.008076
where:
bonds (distance) C4'-P energy: -77.773
bonds (distance) P-C4' energy: -92.396
flat angles C4'-P-C4' energy: -92.406
flat angles P-C4'-P energy: -67.350
tors. eta vs tors. theta energy: -129.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1529.302997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.302997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.302997 (E_RNA)
where:
Base-Base interactions energy: -1044.328
where: short stacking energy: -472.143
Base-Backbone interact. energy: -1.314
local terms energy: -483.660717
where:
bonds (distance) C4'-P energy: -85.725
bonds (distance) P-C4' energy: -75.700
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -70.595
tors. eta vs tors. theta energy: -145.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1390.455367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.455367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.455367 (E_RNA)
where:
Base-Base interactions energy: -963.018
where: short stacking energy: -454.873
Base-Backbone interact. energy: 1.798
local terms energy: -429.235040
where:
bonds (distance) C4'-P energy: -84.545
bonds (distance) P-C4' energy: -78.554
flat angles C4'-P-C4' energy: -93.942
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -127.639
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: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1377.204271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.204271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.204271 (E_RNA)
where:
Base-Base interactions energy: -940.299
where: short stacking energy: -429.209
Base-Backbone interact. energy: 0.812
local terms energy: -437.717105
where:
bonds (distance) C4'-P energy: -88.306
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -84.227
flat angles P-C4'-P energy: -57.917
tors. eta vs tors. theta energy: -118.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1353.505874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.505874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.505874 (E_RNA)
where:
Base-Base interactions energy: -932.990
where: short stacking energy: -392.949
Base-Backbone interact. energy: 0.397
local terms energy: -420.913139
where:
bonds (distance) C4'-P energy: -84.900
bonds (distance) P-C4' energy: -63.135
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -72.418
tors. eta vs tors. theta energy: -111.770
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: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1188.406704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.406704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.406704 (E_RNA)
where:
Base-Base interactions energy: -794.900
where: short stacking energy: -335.177
Base-Backbone interact. energy: -2.713
local terms energy: -390.794125
where:
bonds (distance) C4'-P energy: -75.614
bonds (distance) P-C4' energy: -89.083
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -59.814
tors. eta vs tors. theta energy: -75.009
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: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1112.402566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.402566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.402566 (E_RNA)
where:
Base-Base interactions energy: -769.875
where: short stacking energy: -333.566
Base-Backbone interact. energy: 1.888
local terms energy: -344.415224
where:
bonds (distance) C4'-P energy: -70.223
bonds (distance) P-C4' energy: -76.921
flat angles C4'-P-C4' energy: -71.230
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -78.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -675.066508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.066508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.066508 (E_RNA)
where:
Base-Base interactions energy: -391.210
where: short stacking energy: -194.085
Base-Backbone interact. energy: -0.519
local terms energy: -283.337407
where:
bonds (distance) C4'-P energy: -64.003
bonds (distance) P-C4' energy: -81.890
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -55.315
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -629.531864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.531864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.531864 (E_RNA)
where:
Base-Base interactions energy: -359.095
where: short stacking energy: -188.046
Base-Backbone interact. energy: -0.560
local terms energy: -269.877006
where:
bonds (distance) C4'-P energy: -79.576
bonds (distance) P-C4' energy: -72.104
flat angles C4'-P-C4' energy: -71.196
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: -15.421
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: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1714.305892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.305892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.305892 (E_RNA)
where:
Base-Base interactions energy: -1205.974
where: short stacking energy: -537.749
Base-Backbone interact. energy: -4.568
local terms energy: -503.763907
where:
bonds (distance) C4'-P energy: -79.837
bonds (distance) P-C4' energy: -88.438
flat angles C4'-P-C4' energy: -108.708
flat angles P-C4'-P energy: -78.343
tors. eta vs tors. theta energy: -148.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1578.744345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.744345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.744345 (E_RNA)
where:
Base-Base interactions energy: -1134.107
where: short stacking energy: -481.765
Base-Backbone interact. energy: -3.040
local terms energy: -441.597202
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -87.044
flat angles C4'-P-C4' energy: -99.771
flat angles P-C4'-P energy: -61.869
tors. eta vs tors. theta energy: -132.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1554.566903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.566903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.566903 (E_RNA)
where:
Base-Base interactions energy: -1064.699
where: short stacking energy: -470.980
Base-Backbone interact. energy: -1.213
local terms energy: -488.655294
where:
bonds (distance) C4'-P energy: -90.984
bonds (distance) P-C4' energy: -88.883
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -132.012
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: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1386.328714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.328714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.328714 (E_RNA)
where:
Base-Base interactions energy: -946.339
where: short stacking energy: -435.448
Base-Backbone interact. energy: -0.749
local terms energy: -439.240401
where:
bonds (distance) C4'-P energy: -88.967
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -97.749
flat angles P-C4'-P energy: -54.190
tors. eta vs tors. theta energy: -111.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1368.575336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.575336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.575336 (E_RNA)
where:
Base-Base interactions energy: -907.099
where: short stacking energy: -405.614
Base-Backbone interact. energy: -3.386
local terms energy: -458.090470
where:
bonds (distance) C4'-P energy: -79.373
bonds (distance) P-C4' energy: -79.793
flat angles C4'-P-C4' energy: -99.005
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: -128.985
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: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1354.151209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.151209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.151209 (E_RNA)
where:
Base-Base interactions energy: -940.962
where: short stacking energy: -385.995
Base-Backbone interact. energy: -0.540
local terms energy: -412.648663
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -86.371
flat angles C4'-P-C4' energy: -92.520
flat angles P-C4'-P energy: -57.429
tors. eta vs tors. theta energy: -97.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1215.145327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.145327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.145327 (E_RNA)
where:
Base-Base interactions energy: -836.700
where: short stacking energy: -364.999
Base-Backbone interact. energy: 5.046
local terms energy: -383.491304
where:
bonds (distance) C4'-P energy: -72.488
bonds (distance) P-C4' energy: -79.644
flat angles C4'-P-C4' energy: -92.472
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: -83.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1083.672468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.672468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.672468 (E_RNA)
where:
Base-Base interactions energy: -752.226
where: short stacking energy: -318.243
Base-Backbone interact. energy: -2.970
local terms energy: -328.476644
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -68.398
flat angles C4'-P-C4' energy: -77.855
flat angles P-C4'-P energy: -47.248
tors. eta vs tors. theta energy: -65.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -718.287657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.287657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.287657 (E_RNA)
where:
Base-Base interactions energy: -425.838
where: short stacking energy: -219.750
Base-Backbone interact. energy: -2.851
local terms energy: -289.598543
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -81.036
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -590.465049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.465049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.465049 (E_RNA)
where:
Base-Base interactions energy: -325.561
where: short stacking energy: -160.547
Base-Backbone interact. energy: -0.211
local terms energy: -264.693109
where:
bonds (distance) C4'-P energy: -77.951
bonds (distance) P-C4' energy: -69.760
flat angles C4'-P-C4' energy: -53.633
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -11.297
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: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1676.903812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.903812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.903812 (E_RNA)
where:
Base-Base interactions energy: -1168.049
where: short stacking energy: -512.566
Base-Backbone interact. energy: -4.543
local terms energy: -504.312399
where:
bonds (distance) C4'-P energy: -84.010
bonds (distance) P-C4' energy: -86.672
flat angles C4'-P-C4' energy: -106.745
flat angles P-C4'-P energy: -72.971
tors. eta vs tors. theta energy: -153.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1585.562439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.562439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.562439 (E_RNA)
where:
Base-Base interactions energy: -1102.761
where: short stacking energy: -483.330
Base-Backbone interact. energy: 1.113
local terms energy: -483.914269
where:
bonds (distance) C4'-P energy: -89.128
bonds (distance) P-C4' energy: -84.444
flat angles C4'-P-C4' energy: -98.026
flat angles P-C4'-P energy: -68.689
tors. eta vs tors. theta energy: -143.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1530.265900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.265900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.265900 (E_RNA)
where:
Base-Base interactions energy: -1076.538
where: short stacking energy: -466.638
Base-Backbone interact. energy: -1.682
local terms energy: -452.045815
where:
bonds (distance) C4'-P energy: -76.398
bonds (distance) P-C4' energy: -91.556
flat angles C4'-P-C4' energy: -89.017
flat angles P-C4'-P energy: -70.825
tors. eta vs tors. theta energy: -124.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1408.497735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.497735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.497735 (E_RNA)
where:
Base-Base interactions energy: -958.752
where: short stacking energy: -447.506
Base-Backbone interact. energy: -1.645
local terms energy: -448.100596
where:
bonds (distance) C4'-P energy: -78.741
bonds (distance) P-C4' energy: -77.850
flat angles C4'-P-C4' energy: -92.373
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: -132.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1385.623400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.623400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.623400 (E_RNA)
where:
Base-Base interactions energy: -937.722
where: short stacking energy: -429.696
Base-Backbone interact. energy: -1.279
local terms energy: -446.622768
where:
bonds (distance) C4'-P energy: -90.820
bonds (distance) P-C4' energy: -82.045
flat angles C4'-P-C4' energy: -92.246
flat angles P-C4'-P energy: -58.800
tors. eta vs tors. theta energy: -122.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1355.472148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.472148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.472148 (E_RNA)
where:
Base-Base interactions energy: -950.487
where: short stacking energy: -402.680
Base-Backbone interact. energy: 0.529
local terms energy: -405.514213
where:
bonds (distance) C4'-P energy: -66.655
bonds (distance) P-C4' energy: -78.184
flat angles C4'-P-C4' energy: -88.927
flat angles P-C4'-P energy: -58.889
tors. eta vs tors. theta energy: -112.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1223.805697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.805697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.805697 (E_RNA)
where:
Base-Base interactions energy: -822.518
where: short stacking energy: -351.673
Base-Backbone interact. energy: -2.795
local terms energy: -398.492467
where:
bonds (distance) C4'-P energy: -85.403
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -95.516
flat angles P-C4'-P energy: -57.149
tors. eta vs tors. theta energy: -79.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1054.723141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.723141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.723141 (E_RNA)
where:
Base-Base interactions energy: -723.804
where: short stacking energy: -328.462
Base-Backbone interact. energy: 0.360
local terms energy: -331.279495
where:
bonds (distance) C4'-P energy: -64.419
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -85.147
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -69.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -723.384735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.384735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.384735 (E_RNA)
where:
Base-Base interactions energy: -399.588
where: short stacking energy: -214.748
Base-Backbone interact. energy: -0.926
local terms energy: -322.870964
where:
bonds (distance) C4'-P energy: -65.003
bonds (distance) P-C4' energy: -90.594
flat angles C4'-P-C4' energy: -82.554
flat angles P-C4'-P energy: -51.415
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -606.174772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.174772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.174772 (E_RNA)
where:
Base-Base interactions energy: -350.549
where: short stacking energy: -183.683
Base-Backbone interact. energy: -1.977
local terms energy: -253.648753
where:
bonds (distance) C4'-P energy: -61.829
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -59.909
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1678.525602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.525602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.525602 (E_RNA)
where:
Base-Base interactions energy: -1175.427
where: short stacking energy: -512.889
Base-Backbone interact. energy: -4.460
local terms energy: -498.639384
where:
bonds (distance) C4'-P energy: -81.748
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -101.600
flat angles P-C4'-P energy: -74.236
tors. eta vs tors. theta energy: -152.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1585.124795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.124795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.124795 (E_RNA)
where:
Base-Base interactions energy: -1077.079
where: short stacking energy: -492.983
Base-Backbone interact. energy: -2.752
local terms energy: -505.294205
where:
bonds (distance) C4'-P energy: -87.792
bonds (distance) P-C4' energy: -89.468
flat angles C4'-P-C4' energy: -103.336
flat angles P-C4'-P energy: -78.546
tors. eta vs tors. theta energy: -146.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1510.712967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.712967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.712967 (E_RNA)
where:
Base-Base interactions energy: -1052.808
where: short stacking energy: -455.145
Base-Backbone interact. energy: -0.827
local terms energy: -457.078060
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -90.556
flat angles C4'-P-C4' energy: -96.021
flat angles P-C4'-P energy: -56.949
tors. eta vs tors. theta energy: -127.901
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: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1397.664715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.664715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.664715 (E_RNA)
where:
Base-Base interactions energy: -926.703
where: short stacking energy: -444.669
Base-Backbone interact. energy: -0.543
local terms energy: -470.418225
where:
bonds (distance) C4'-P energy: -91.368
bonds (distance) P-C4' energy: -89.384
flat angles C4'-P-C4' energy: -94.004
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -129.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1361.800199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.800199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.800199 (E_RNA)
where:
Base-Base interactions energy: -915.991
where: short stacking energy: -429.053
Base-Backbone interact. energy: 1.160
local terms energy: -446.969598
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -95.920
flat angles C4'-P-C4' energy: -86.495
flat angles P-C4'-P energy: -76.280
tors. eta vs tors. theta energy: -119.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1343.129391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.129391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.129391 (E_RNA)
where:
Base-Base interactions energy: -950.212
where: short stacking energy: -412.226
Base-Backbone interact. energy: 0.298
local terms energy: -393.215719
where:
bonds (distance) C4'-P energy: -79.701
bonds (distance) P-C4' energy: -71.018
flat angles C4'-P-C4' energy: -97.271
flat angles P-C4'-P energy: -39.076
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: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1208.542303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.542303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.542303 (E_RNA)
where:
Base-Base interactions energy: -849.506
where: short stacking energy: -365.547
Base-Backbone interact. energy: -1.561
local terms energy: -357.474398
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -83.158
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -83.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1063.381245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.381245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.381245 (E_RNA)
where:
Base-Base interactions energy: -718.554
where: short stacking energy: -290.700
Base-Backbone interact. energy: 1.802
local terms energy: -346.629184
where:
bonds (distance) C4'-P energy: -78.076
bonds (distance) P-C4' energy: -74.630
flat angles C4'-P-C4' energy: -76.623
flat angles P-C4'-P energy: -50.002
tors. eta vs tors. theta energy: -67.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -722.323356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.323356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.323356 (E_RNA)
where:
Base-Base interactions energy: -428.234
where: short stacking energy: -223.541
Base-Backbone interact. energy: 1.139
local terms energy: -295.227831
where:
bonds (distance) C4'-P energy: -65.936
bonds (distance) P-C4' energy: -79.580
flat angles C4'-P-C4' energy: -73.210
flat angles P-C4'-P energy: -40.342
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -606.813228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.813228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.813228 (E_RNA)
where:
Base-Base interactions energy: -327.747
where: short stacking energy: -184.597
Base-Backbone interact. energy: -1.831
local terms energy: -277.234664
where:
bonds (distance) C4'-P energy: -73.564
bonds (distance) P-C4' energy: -76.359
flat angles C4'-P-C4' energy: -76.786
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1693.006189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.006189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.006189 (E_RNA)
where:
Base-Base interactions energy: -1174.642
where: short stacking energy: -500.464
Base-Backbone interact. energy: -1.990
local terms energy: -516.373488
where:
bonds (distance) C4'-P energy: -88.297
bonds (distance) P-C4' energy: -90.649
flat angles C4'-P-C4' energy: -110.367
flat angles P-C4'-P energy: -73.169
tors. eta vs tors. theta energy: -153.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1551.385334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.385334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.385334 (E_RNA)
where:
Base-Base interactions energy: -1076.315
where: short stacking energy: -470.265
Base-Backbone interact. energy: -2.686
local terms energy: -472.384224
where:
bonds (distance) C4'-P energy: -91.750
bonds (distance) P-C4' energy: -84.260
flat angles C4'-P-C4' energy: -101.049
flat angles P-C4'-P energy: -58.914
tors. eta vs tors. theta energy: -136.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1554.063031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.063031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.063031 (E_RNA)
where:
Base-Base interactions energy: -1080.016
where: short stacking energy: -470.968
Base-Backbone interact. energy: -1.381
local terms energy: -472.665837
where:
bonds (distance) C4'-P energy: -94.740
bonds (distance) P-C4' energy: -84.734
flat angles C4'-P-C4' energy: -88.174
flat angles P-C4'-P energy: -65.386
tors. eta vs tors. theta energy: -139.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1383.115285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.115285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.115285 (E_RNA)
where:
Base-Base interactions energy: -917.835
where: short stacking energy: -435.414
Base-Backbone interact. energy: -0.508
local terms energy: -464.772295
where:
bonds (distance) C4'-P energy: -95.205
bonds (distance) P-C4' energy: -85.787
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: -120.705
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1369.520461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.520461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.520461 (E_RNA)
where:
Base-Base interactions energy: -926.276
where: short stacking energy: -431.423
Base-Backbone interact. energy: -0.885
local terms energy: -442.359270
where:
bonds (distance) C4'-P energy: -79.206
bonds (distance) P-C4' energy: -84.123
flat angles C4'-P-C4' energy: -96.250
flat angles P-C4'-P energy: -57.542
tors. eta vs tors. theta energy: -125.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1379.404423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.404423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.404423 (E_RNA)
where:
Base-Base interactions energy: -965.775
where: short stacking energy: -414.765
Base-Backbone interact. energy: -3.700
local terms energy: -409.929177
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -78.944
flat angles C4'-P-C4' energy: -89.777
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -115.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1187.430498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.430498 (E_RNA)
where:
Base-Base interactions energy: -805.131
where: short stacking energy: -350.843
Base-Backbone interact. energy: -3.857
local terms energy: -378.442903
where:
bonds (distance) C4'-P energy: -63.050
bonds (distance) P-C4' energy: -80.678
flat angles C4'-P-C4' energy: -93.556
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -91.058
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: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1057.939084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.939084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.939084 (E_RNA)
where:
Base-Base interactions energy: -713.689
where: short stacking energy: -301.259
Base-Backbone interact. energy: -2.132
local terms energy: -342.118159
where:
bonds (distance) C4'-P energy: -57.406
bonds (distance) P-C4' energy: -84.243
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -70.443
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: 411
Temperature: 1.300000
Total energy: -754.851562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.851562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.851562 (E_RNA)
where:
Base-Base interactions energy: -439.074
where: short stacking energy: -218.648
Base-Backbone interact. energy: 1.344
local terms energy: -317.121531
where:
bonds (distance) C4'-P energy: -88.402
bonds (distance) P-C4' energy: -76.220
flat angles C4'-P-C4' energy: -82.608
flat angles P-C4'-P energy: -51.564
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -604.503428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.503428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.503428 (E_RNA)
where:
Base-Base interactions energy: -358.991
where: short stacking energy: -176.876
Base-Backbone interact. energy: 1.266
local terms energy: -246.778394
where:
bonds (distance) C4'-P energy: -55.756
bonds (distance) P-C4' energy: -61.221
flat angles C4'-P-C4' energy: -63.945
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1687.045336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.045336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.045336 (E_RNA)
where:
Base-Base interactions energy: -1158.976
where: short stacking energy: -510.749
Base-Backbone interact. energy: -3.191
local terms energy: -524.878200
where:
bonds (distance) C4'-P energy: -95.113
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -115.277
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -142.047
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1575.804548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.804548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.804548 (E_RNA)
where:
Base-Base interactions energy: -1092.567
where: short stacking energy: -480.302
Base-Backbone interact. energy: -2.574
local terms energy: -480.663536
where:
bonds (distance) C4'-P energy: -89.930
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -111.749
flat angles P-C4'-P energy: -57.937
tors. eta vs tors. theta energy: -131.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1573.064440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.064440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.064440 (E_RNA)
where:
Base-Base interactions energy: -1096.964
where: short stacking energy: -472.185
Base-Backbone interact. energy: -1.419
local terms energy: -474.681446
where:
bonds (distance) C4'-P energy: -91.782
bonds (distance) P-C4' energy: -92.505
flat angles C4'-P-C4' energy: -92.644
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -135.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1406.389384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.389384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.389384 (E_RNA)
where:
Base-Base interactions energy: -957.739
where: short stacking energy: -439.273
Base-Backbone interact. energy: 0.740
local terms energy: -449.390273
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -88.633
flat angles C4'-P-C4' energy: -96.000
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -133.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1361.459207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.459207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.459207 (E_RNA)
where:
Base-Base interactions energy: -925.384
where: short stacking energy: -389.196
Base-Backbone interact. energy: -4.148
local terms energy: -431.926790
where:
bonds (distance) C4'-P energy: -78.392
bonds (distance) P-C4' energy: -93.865
flat angles C4'-P-C4' energy: -83.026
flat angles P-C4'-P energy: -69.986
tors. eta vs tors. theta energy: -106.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1296.221789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.221789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.221789 (E_RNA)
where:
Base-Base interactions energy: -895.598
where: short stacking energy: -421.865
Base-Backbone interact. energy: -1.242
local terms energy: -399.382495
where:
bonds (distance) C4'-P energy: -86.323
bonds (distance) P-C4' energy: -72.291
flat angles C4'-P-C4' energy: -84.112
flat angles P-C4'-P energy: -43.198
tors. eta vs tors. theta energy: -113.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1267.408976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.408976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.408976 (E_RNA)
where:
Base-Base interactions energy: -884.554
where: short stacking energy: -379.383
Base-Backbone interact. energy: -2.711
local terms energy: -380.144308
where:
bonds (distance) C4'-P energy: -75.995
bonds (distance) P-C4' energy: -76.244
flat angles C4'-P-C4' energy: -87.193
flat angles P-C4'-P energy: -54.189
tors. eta vs tors. theta energy: -86.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1046.855006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.855006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.855006 (E_RNA)
where:
Base-Base interactions energy: -705.398
where: short stacking energy: -310.263
Base-Backbone interact. energy: -1.908
local terms energy: -339.549337
where:
bonds (distance) C4'-P energy: -71.976
bonds (distance) P-C4' energy: -74.291
flat angles C4'-P-C4' energy: -79.510
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -74.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -748.038370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.038370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.038370 (E_RNA)
where:
Base-Base interactions energy: -436.576
where: short stacking energy: -226.243
Base-Backbone interact. energy: 0.355
local terms energy: -311.816949
where:
bonds (distance) C4'-P energy: -88.254
bonds (distance) P-C4' energy: -78.640
flat angles C4'-P-C4' energy: -82.265
flat angles P-C4'-P energy: -33.897
tors. eta vs tors. theta energy: -28.762
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: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -571.810191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.810191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.810191 (E_RNA)
where:
Base-Base interactions energy: -301.340
where: short stacking energy: -150.630
Base-Backbone interact. energy: -2.473
local terms energy: -267.996507
where:
bonds (distance) C4'-P energy: -78.437
bonds (distance) P-C4' energy: -75.918
flat angles C4'-P-C4' energy: -65.091
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1678.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.801830 (E_RNA)
where:
Base-Base interactions energy: -1173.831
where: short stacking energy: -513.139
Base-Backbone interact. energy: -0.936
local terms energy: -504.034940
where:
bonds (distance) C4'-P energy: -98.204
bonds (distance) P-C4' energy: -93.532
flat angles C4'-P-C4' energy: -105.408
flat angles P-C4'-P energy: -67.386
tors. eta vs tors. theta energy: -139.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1593.802307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.802307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.802307 (E_RNA)
where:
Base-Base interactions energy: -1107.562
where: short stacking energy: -477.461
Base-Backbone interact. energy: 3.372
local terms energy: -489.612334
where:
bonds (distance) C4'-P energy: -79.548
bonds (distance) P-C4' energy: -98.721
flat angles C4'-P-C4' energy: -100.781
flat angles P-C4'-P energy: -69.590
tors. eta vs tors. theta energy: -140.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1544.364341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.364341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.364341 (E_RNA)
where:
Base-Base interactions energy: -1067.134
where: short stacking energy: -464.994
Base-Backbone interact. energy: 0.702
local terms energy: -477.932169
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -95.351
flat angles C4'-P-C4' energy: -104.122
flat angles P-C4'-P energy: -67.161
tors. eta vs tors. theta energy: -131.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1428.272147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.272147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.272147 (E_RNA)
where:
Base-Base interactions energy: -980.794
where: short stacking energy: -430.017
Base-Backbone interact. energy: -0.384
local terms energy: -447.094122
where:
bonds (distance) C4'-P energy: -89.712
bonds (distance) P-C4' energy: -80.853
flat angles C4'-P-C4' energy: -102.003
flat angles P-C4'-P energy: -53.508
tors. eta vs tors. theta energy: -121.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1397.924012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.924012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.924012 (E_RNA)
where:
Base-Base interactions energy: -959.196
where: short stacking energy: -440.247
Base-Backbone interact. energy: -1.964
local terms energy: -436.764186
where:
bonds (distance) C4'-P energy: -86.857
bonds (distance) P-C4' energy: -78.607
flat angles C4'-P-C4' energy: -85.908
flat angles P-C4'-P energy: -64.521
tors. eta vs tors. theta energy: -120.871
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: 413
Temperature: 1.150000
Total energy: -1359.668663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.668663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.668663 (E_RNA)
where:
Base-Base interactions energy: -897.048
where: short stacking energy: -418.899
Base-Backbone interact. energy: 0.626
local terms energy: -463.246261
where:
bonds (distance) C4'-P energy: -85.645
bonds (distance) P-C4' energy: -91.391
flat angles C4'-P-C4' energy: -99.566
flat angles P-C4'-P energy: -63.611
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: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1244.994528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.994528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.994528 (E_RNA)
where:
Base-Base interactions energy: -857.627
where: short stacking energy: -387.730
Base-Backbone interact. energy: -1.738
local terms energy: -385.629267
where:
bonds (distance) C4'-P energy: -80.053
bonds (distance) P-C4' energy: -71.780
flat angles C4'-P-C4' energy: -74.667
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -99.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1024.013958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.013958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.013958 (E_RNA)
where:
Base-Base interactions energy: -676.658
where: short stacking energy: -298.033
Base-Backbone interact. energy: -1.236
local terms energy: -346.119464
where:
bonds (distance) C4'-P energy: -69.640
bonds (distance) P-C4' energy: -89.570
flat angles C4'-P-C4' energy: -79.532
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -75.188
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: 413
Temperature: 1.300000
Total energy: -745.985223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.985223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.985223 (E_RNA)
where:
Base-Base interactions energy: -452.914
where: short stacking energy: -208.625
Base-Backbone interact. energy: 1.555
local terms energy: -294.626438
where:
bonds (distance) C4'-P energy: -72.536
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -81.273
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -633.431303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.431303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.431303 (E_RNA)
where:
Base-Base interactions energy: -365.662
where: short stacking energy: -194.080
Base-Backbone interact. energy: -0.815
local terms energy: -266.954422
where:
bonds (distance) C4'-P energy: -71.181
bonds (distance) P-C4' energy: -65.659
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -46.958
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1693.808267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.808267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.808267 (E_RNA)
where:
Base-Base interactions energy: -1183.302
where: short stacking energy: -514.080
Base-Backbone interact. energy: -2.834
local terms energy: -507.671946
where:
bonds (distance) C4'-P energy: -91.766
bonds (distance) P-C4' energy: -95.912
flat angles C4'-P-C4' energy: -107.306
flat angles P-C4'-P energy: -70.918
tors. eta vs tors. theta energy: -141.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1600.134084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.134084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.134084 (E_RNA)
where:
Base-Base interactions energy: -1114.622
where: short stacking energy: -495.371
Base-Backbone interact. energy: 0.147
local terms energy: -485.659674
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -103.890
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -138.991
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: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1535.566859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.566859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.566859 (E_RNA)
where:
Base-Base interactions energy: -1067.925
where: short stacking energy: -458.341
Base-Backbone interact. energy: -2.282
local terms energy: -465.359623
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -84.774
flat angles C4'-P-C4' energy: -106.448
flat angles P-C4'-P energy: -67.399
tors. eta vs tors. theta energy: -130.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1438.166713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.166713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.166713 (E_RNA)
where:
Base-Base interactions energy: -974.830
where: short stacking energy: -423.756
Base-Backbone interact. energy: -1.816
local terms energy: -461.520694
where:
bonds (distance) C4'-P energy: -88.704
bonds (distance) P-C4' energy: -93.590
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -61.625
tors. eta vs tors. theta energy: -124.893
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1414.612306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.612306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.612306 (E_RNA)
where:
Base-Base interactions energy: -989.032
where: short stacking energy: -457.953
Base-Backbone interact. energy: 1.790
local terms energy: -427.370387
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -74.456
flat angles C4'-P-C4' energy: -90.915
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: -121.497
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: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1311.891984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.891984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.891984 (E_RNA)
where:
Base-Base interactions energy: -885.784
where: short stacking energy: -391.304
Base-Backbone interact. energy: 1.049
local terms energy: -427.156806
where:
bonds (distance) C4'-P energy: -79.685
bonds (distance) P-C4' energy: -75.897
flat angles C4'-P-C4' energy: -93.380
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -120.468
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: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1241.239702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.239702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.239702 (E_RNA)
where:
Base-Base interactions energy: -862.364
where: short stacking energy: -386.335
Base-Backbone interact. energy: -2.575
local terms energy: -376.300491
where:
bonds (distance) C4'-P energy: -71.389
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -86.872
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -88.485
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: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1000.518021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.518021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.518021 (E_RNA)
where:
Base-Base interactions energy: -660.011
where: short stacking energy: -312.835
Base-Backbone interact. energy: 2.173
local terms energy: -342.679593
where:
bonds (distance) C4'-P energy: -74.308
bonds (distance) P-C4' energy: -73.494
flat angles C4'-P-C4' energy: -75.635
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -70.576
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -706.697166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.697166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.697166 (E_RNA)
where:
Base-Base interactions energy: -421.278
where: short stacking energy: -217.909
Base-Backbone interact. energy: -1.814
local terms energy: -283.605351
where:
bonds (distance) C4'-P energy: -61.501
bonds (distance) P-C4' energy: -86.742
flat angles C4'-P-C4' energy: -64.850
flat angles P-C4'-P energy: -42.139
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: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -659.739972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.739972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.739972 (E_RNA)
where:
Base-Base interactions energy: -365.318
where: short stacking energy: -179.804
Base-Backbone interact. energy: -1.151
local terms energy: -293.270668
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -80.129
flat angles C4'-P-C4' energy: -72.407
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -24.144
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: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1692.398356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.398356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.398356 (E_RNA)
where:
Base-Base interactions energy: -1173.965
where: short stacking energy: -507.120
Base-Backbone interact. energy: -4.745
local terms energy: -513.687680
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -104.109
flat angles C4'-P-C4' energy: -107.667
flat angles P-C4'-P energy: -71.638
tors. eta vs tors. theta energy: -136.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1605.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.442699 (E_RNA)
where:
Base-Base interactions energy: -1128.223
where: short stacking energy: -481.132
Base-Backbone interact. energy: -1.063
local terms energy: -476.157093
where:
bonds (distance) C4'-P energy: -83.943
bonds (distance) P-C4' energy: -94.912
flat angles C4'-P-C4' energy: -99.256
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -138.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1553.121740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.121740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.121740 (E_RNA)
where:
Base-Base interactions energy: -1103.527
where: short stacking energy: -474.027
Base-Backbone interact. energy: -2.273
local terms energy: -447.321406
where:
bonds (distance) C4'-P energy: -73.868
bonds (distance) P-C4' energy: -87.516
flat angles C4'-P-C4' energy: -97.372
flat angles P-C4'-P energy: -65.865
tors. eta vs tors. theta energy: -122.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1457.967027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.967027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.967027 (E_RNA)
where:
Base-Base interactions energy: -1008.679
where: short stacking energy: -459.778
Base-Backbone interact. energy: -1.687
local terms energy: -447.600918
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -83.640
flat angles C4'-P-C4' energy: -104.270
flat angles P-C4'-P energy: -66.352
tors. eta vs tors. theta energy: -119.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1390.499109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.499109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.499109 (E_RNA)
where:
Base-Base interactions energy: -949.827
where: short stacking energy: -425.284
Base-Backbone interact. energy: -1.938
local terms energy: -438.733986
where:
bonds (distance) C4'-P energy: -77.192
bonds (distance) P-C4' energy: -82.343
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -125.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1293.703046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.703046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.703046 (E_RNA)
where:
Base-Base interactions energy: -856.586
where: short stacking energy: -378.355
Base-Backbone interact. energy: -1.019
local terms energy: -436.097886
where:
bonds (distance) C4'-P energy: -75.451
bonds (distance) P-C4' energy: -93.511
flat angles C4'-P-C4' energy: -89.901
flat angles P-C4'-P energy: -60.379
tors. eta vs tors. theta energy: -116.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1194.170314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.170314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.170314 (E_RNA)
where:
Base-Base interactions energy: -820.630
where: short stacking energy: -365.755
Base-Backbone interact. energy: 0.605
local terms energy: -374.144701
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -78.615
flat angles C4'-P-C4' energy: -88.505
flat angles P-C4'-P energy: -54.927
tors. eta vs tors. theta energy: -76.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -993.865366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.865366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.865366 (E_RNA)
where:
Base-Base interactions energy: -643.028
where: short stacking energy: -264.821
Base-Backbone interact. energy: -1.045
local terms energy: -349.791979
where:
bonds (distance) C4'-P energy: -78.534
bonds (distance) P-C4' energy: -85.228
flat angles C4'-P-C4' energy: -88.247
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -59.623
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -731.779977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.779977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.779977 (E_RNA)
where:
Base-Base interactions energy: -429.781
where: short stacking energy: -214.518
Base-Backbone interact. energy: -0.820
local terms energy: -301.178960
where:
bonds (distance) C4'-P energy: -67.933
bonds (distance) P-C4' energy: -75.661
flat angles C4'-P-C4' energy: -79.923
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -667.459502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.459502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.459502 (E_RNA)
where:
Base-Base interactions energy: -391.468
where: short stacking energy: -191.390
Base-Backbone interact. energy: 1.287
local terms energy: -277.277716
where:
bonds (distance) C4'-P energy: -73.685
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -84.292
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1697.849394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.849394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.849394 (E_RNA)
where:
Base-Base interactions energy: -1197.604
where: short stacking energy: -518.553
Base-Backbone interact. energy: -3.748
local terms energy: -496.497627
where:
bonds (distance) C4'-P energy: -88.292
bonds (distance) P-C4' energy: -79.213
flat angles C4'-P-C4' energy: -111.412
flat angles P-C4'-P energy: -79.710
tors. eta vs tors. theta energy: -137.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1616.304934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.304934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.304934 (E_RNA)
where:
Base-Base interactions energy: -1122.845
where: short stacking energy: -491.418
Base-Backbone interact. energy: -2.278
local terms energy: -491.182240
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -85.108
flat angles C4'-P-C4' energy: -106.444
flat angles P-C4'-P energy: -64.020
tors. eta vs tors. theta energy: -141.657
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1545.721327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.721327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.721327 (E_RNA)
where:
Base-Base interactions energy: -1065.225
where: short stacking energy: -466.030
Base-Backbone interact. energy: -3.271
local terms energy: -477.225831
where:
bonds (distance) C4'-P energy: -80.853
bonds (distance) P-C4' energy: -96.247
flat angles C4'-P-C4' energy: -109.533
flat angles P-C4'-P energy: -60.400
tors. eta vs tors. theta energy: -130.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1461.974590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.974590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.974590 (E_RNA)
where:
Base-Base interactions energy: -999.138
where: short stacking energy: -450.491
Base-Backbone interact. energy: -1.402
local terms energy: -461.434785
where:
bonds (distance) C4'-P energy: -75.222
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -100.901
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -130.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1370.712453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.712453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.712453 (E_RNA)
where:
Base-Base interactions energy: -929.226
where: short stacking energy: -415.221
Base-Backbone interact. energy: 2.925
local terms energy: -444.410807
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -91.667
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -117.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1266.666921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.666921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.666921 (E_RNA)
where:
Base-Base interactions energy: -860.913
where: short stacking energy: -365.280
Base-Backbone interact. energy: -0.849
local terms energy: -404.904611
where:
bonds (distance) C4'-P energy: -76.799
bonds (distance) P-C4' energy: -82.583
flat angles C4'-P-C4' energy: -84.911
flat angles P-C4'-P energy: -53.077
tors. eta vs tors. theta energy: -107.536
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: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1223.585772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.585772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.585772 (E_RNA)
where:
Base-Base interactions energy: -847.359
where: short stacking energy: -373.539
Base-Backbone interact. energy: -3.261
local terms energy: -372.965587
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -72.206
flat angles C4'-P-C4' energy: -74.127
flat angles P-C4'-P energy: -53.765
tors. eta vs tors. theta energy: -87.732
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: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1047.189023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.189023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.189023 (E_RNA)
where:
Base-Base interactions energy: -666.811
where: short stacking energy: -293.749
Base-Backbone interact. energy: 5.484
local terms energy: -385.862106
where:
bonds (distance) C4'-P energy: -87.016
bonds (distance) P-C4' energy: -78.904
flat angles C4'-P-C4' energy: -101.631
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -65.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -822.975747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.975747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.975747 (E_RNA)
where:
Base-Base interactions energy: -496.303
where: short stacking energy: -246.171
Base-Backbone interact. energy: -0.286
local terms energy: -326.386908
where:
bonds (distance) C4'-P energy: -81.349
bonds (distance) P-C4' energy: -83.112
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -47.939
tors. eta vs tors. theta energy: -51.468
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: 416
Temperature: 1.350000
Total energy: -634.138456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.138456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.138456 (E_RNA)
where:
Base-Base interactions energy: -370.982
where: short stacking energy: -200.423
Base-Backbone interact. energy: -0.561
local terms energy: -262.595449
where:
bonds (distance) C4'-P energy: -63.835
bonds (distance) P-C4' energy: -80.732
flat angles C4'-P-C4' energy: -65.235
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1699.338362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.338362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.338362 (E_RNA)
where:
Base-Base interactions energy: -1183.232
where: short stacking energy: -531.041
Base-Backbone interact. energy: -4.708
local terms energy: -511.397787
where:
bonds (distance) C4'-P energy: -79.749
bonds (distance) P-C4' energy: -99.201
flat angles C4'-P-C4' energy: -114.506
flat angles P-C4'-P energy: -74.150
tors. eta vs tors. theta energy: -143.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1605.381975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.381975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.381975 (E_RNA)
where:
Base-Base interactions energy: -1125.341
where: short stacking energy: -491.235
Base-Backbone interact. energy: 0.199
local terms energy: -480.240282
where:
bonds (distance) C4'-P energy: -83.746
bonds (distance) P-C4' energy: -86.738
flat angles C4'-P-C4' energy: -102.291
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: -155.473
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: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1541.591032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.591032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.591032 (E_RNA)
where:
Base-Base interactions energy: -1041.616
where: short stacking energy: -468.136
Base-Backbone interact. energy: -2.740
local terms energy: -497.234457
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -105.014
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -130.638
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1431.590025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.590025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.590025 (E_RNA)
where:
Base-Base interactions energy: -990.494
where: short stacking energy: -436.237
Base-Backbone interact. energy: -0.777
local terms energy: -440.318612
where:
bonds (distance) C4'-P energy: -81.388
bonds (distance) P-C4' energy: -89.151
flat angles C4'-P-C4' energy: -102.326
flat angles P-C4'-P energy: -45.747
tors. eta vs tors. theta energy: -121.707
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: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1369.328213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.328213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.328213 (E_RNA)
where:
Base-Base interactions energy: -947.827
where: short stacking energy: -445.507
Base-Backbone interact. energy: -1.231
local terms energy: -420.270175
where:
bonds (distance) C4'-P energy: -75.130
bonds (distance) P-C4' energy: -88.180
flat angles C4'-P-C4' energy: -73.276
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -128.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1287.767172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.767172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.767172 (E_RNA)
where:
Base-Base interactions energy: -863.386
where: short stacking energy: -384.964
Base-Backbone interact. energy: -0.194
local terms energy: -424.186488
where:
bonds (distance) C4'-P energy: -75.031
bonds (distance) P-C4' energy: -85.238
flat angles C4'-P-C4' energy: -83.024
flat angles P-C4'-P energy: -63.932
tors. eta vs tors. theta energy: -116.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1209.770968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.770968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.770968 (E_RNA)
where:
Base-Base interactions energy: -839.189
where: short stacking energy: -361.762
Base-Backbone interact. energy: -2.043
local terms energy: -368.539199
where:
bonds (distance) C4'-P energy: -69.937
bonds (distance) P-C4' energy: -69.960
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -85.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1007.750703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.750703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.750703 (E_RNA)
where:
Base-Base interactions energy: -676.925
where: short stacking energy: -312.310
Base-Backbone interact. energy: 1.095
local terms energy: -331.920990
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -71.412
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -58.187
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -753.732749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.732749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.732749 (E_RNA)
where:
Base-Base interactions energy: -463.709
where: short stacking energy: -209.642
Base-Backbone interact. energy: 5.990
local terms energy: -296.013169
where:
bonds (distance) C4'-P energy: -67.331
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -86.086
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -623.229095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.229095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.229095 (E_RNA)
where:
Base-Base interactions energy: -333.570
where: short stacking energy: -178.069
Base-Backbone interact. energy: 0.498
local terms energy: -290.156446
where:
bonds (distance) C4'-P energy: -78.368
bonds (distance) P-C4' energy: -80.080
flat angles C4'-P-C4' energy: -72.350
flat angles P-C4'-P energy: -46.389
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1708.788279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.788279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.788279 (E_RNA)
where:
Base-Base interactions energy: -1209.854
where: short stacking energy: -522.604
Base-Backbone interact. energy: -3.432
local terms energy: -495.502199
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -95.112
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -63.778
tors. eta vs tors. theta energy: -141.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1588.490494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.490494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.490494 (E_RNA)
where:
Base-Base interactions energy: -1103.234
where: short stacking energy: -484.920
Base-Backbone interact. energy: -1.250
local terms energy: -484.006885
where:
bonds (distance) C4'-P energy: -88.333
bonds (distance) P-C4' energy: -92.943
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -60.751
tors. eta vs tors. theta energy: -137.959
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: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1543.795862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.795862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.795862 (E_RNA)
where:
Base-Base interactions energy: -1070.410
where: short stacking energy: -452.509
Base-Backbone interact. energy: -2.116
local terms energy: -471.269364
where:
bonds (distance) C4'-P energy: -81.237
bonds (distance) P-C4' energy: -89.190
flat angles C4'-P-C4' energy: -98.731
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -127.311
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: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1450.852102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.852102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.852102 (E_RNA)
where:
Base-Base interactions energy: -980.750
where: short stacking energy: -449.722
Base-Backbone interact. energy: -2.321
local terms energy: -467.780843
where:
bonds (distance) C4'-P energy: -69.067
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -102.703
flat angles P-C4'-P energy: -73.484
tors. eta vs tors. theta energy: -132.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1398.194782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.194782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.194782 (E_RNA)
where:
Base-Base interactions energy: -938.520
where: short stacking energy: -425.631
Base-Backbone interact. energy: -1.073
local terms energy: -458.602494
where:
bonds (distance) C4'-P energy: -83.316
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -92.932
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -124.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1241.195711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.195711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.195711 (E_RNA)
where:
Base-Base interactions energy: -842.364
where: short stacking energy: -381.883
Base-Backbone interact. energy: -0.723
local terms energy: -398.108725
where:
bonds (distance) C4'-P energy: -92.165
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -58.582
tors. eta vs tors. theta energy: -99.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1248.241553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.241553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.241553 (E_RNA)
where:
Base-Base interactions energy: -845.986
where: short stacking energy: -346.871
Base-Backbone interact. energy: -2.810
local terms energy: -399.445667
where:
bonds (distance) C4'-P energy: -76.714
bonds (distance) P-C4' energy: -88.182
flat angles C4'-P-C4' energy: -94.812
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -82.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1000.153570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.153570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.153570 (E_RNA)
where:
Base-Base interactions energy: -637.373
where: short stacking energy: -301.023
Base-Backbone interact. energy: -0.282
local terms energy: -362.498496
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -79.498
flat angles C4'-P-C4' energy: -88.326
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: -71.048
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -743.887046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.887046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.887046 (E_RNA)
where:
Base-Base interactions energy: -458.289
where: short stacking energy: -222.624
Base-Backbone interact. energy: 8.336
local terms energy: -293.934162
where:
bonds (distance) C4'-P energy: -71.839
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -660.767199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.767199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.767199 (E_RNA)
where:
Base-Base interactions energy: -384.193
where: short stacking energy: -194.109
Base-Backbone interact. energy: 1.797
local terms energy: -278.371079
where:
bonds (distance) C4'-P energy: -55.575
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -78.910
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1692.236266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.236266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.236266 (E_RNA)
where:
Base-Base interactions energy: -1174.556
where: short stacking energy: -506.501
Base-Backbone interact. energy: -1.719
local terms energy: -515.961238
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -115.343
flat angles P-C4'-P energy: -76.287
tors. eta vs tors. theta energy: -140.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1580.090385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.090385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.090385 (E_RNA)
where:
Base-Base interactions energy: -1090.212
where: short stacking energy: -489.968
Base-Backbone interact. energy: -3.773
local terms energy: -486.105255
where:
bonds (distance) C4'-P energy: -93.858
bonds (distance) P-C4' energy: -87.195
flat angles C4'-P-C4' energy: -106.229
flat angles P-C4'-P energy: -57.968
tors. eta vs tors. theta energy: -140.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1559.798522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.798522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.798522 (E_RNA)
where:
Base-Base interactions energy: -1057.822
where: short stacking energy: -475.765
Base-Backbone interact. energy: -1.319
local terms energy: -500.657832
where:
bonds (distance) C4'-P energy: -100.819
bonds (distance) P-C4' energy: -92.448
flat angles C4'-P-C4' energy: -104.300
flat angles P-C4'-P energy: -76.379
tors. eta vs tors. theta energy: -126.713
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: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1462.223499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.223499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.223499 (E_RNA)
where:
Base-Base interactions energy: -992.250
where: short stacking energy: -438.210
Base-Backbone interact. energy: -2.671
local terms energy: -467.302754
where:
bonds (distance) C4'-P energy: -89.506
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -101.678
flat angles P-C4'-P energy: -65.949
tors. eta vs tors. theta energy: -121.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1364.214975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.214975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.214975 (E_RNA)
where:
Base-Base interactions energy: -910.214
where: short stacking energy: -422.126
Base-Backbone interact. energy: -1.483
local terms energy: -452.517942
where:
bonds (distance) C4'-P energy: -82.590
bonds (distance) P-C4' energy: -89.665
flat angles C4'-P-C4' energy: -83.641
flat angles P-C4'-P energy: -66.028
tors. eta vs tors. theta energy: -130.594
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: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1250.666522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.666522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.666522 (E_RNA)
where:
Base-Base interactions energy: -838.502
where: short stacking energy: -360.127
Base-Backbone interact. energy: 3.438
local terms energy: -415.602331
where:
bonds (distance) C4'-P energy: -81.065
bonds (distance) P-C4' energy: -88.928
flat angles C4'-P-C4' energy: -98.893
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -100.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1204.451149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.451149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.451149 (E_RNA)
where:
Base-Base interactions energy: -794.846
where: short stacking energy: -343.151
Base-Backbone interact. energy: 0.202
local terms energy: -409.807124
where:
bonds (distance) C4'-P energy: -76.566
bonds (distance) P-C4' energy: -86.068
flat angles C4'-P-C4' energy: -95.043
flat angles P-C4'-P energy: -52.718
tors. eta vs tors. theta energy: -99.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1004.243013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.243013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.243013 (E_RNA)
where:
Base-Base interactions energy: -637.246
where: short stacking energy: -272.890
Base-Backbone interact. energy: -1.785
local terms energy: -365.212079
where:
bonds (distance) C4'-P energy: -72.627
bonds (distance) P-C4' energy: -84.124
flat angles C4'-P-C4' energy: -86.227
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -73.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -739.611700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.611700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.611700 (E_RNA)
where:
Base-Base interactions energy: -450.171
where: short stacking energy: -202.987
Base-Backbone interact. energy: -2.017
local terms energy: -287.424144
where:
bonds (distance) C4'-P energy: -69.353
bonds (distance) P-C4' energy: -77.019
flat angles C4'-P-C4' energy: -86.696
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -696.657270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.657270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.657270 (E_RNA)
where:
Base-Base interactions energy: -410.601
where: short stacking energy: -209.769
Base-Backbone interact. energy: 1.280
local terms energy: -287.336042
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -81.395
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -39.703
tors. eta vs tors. theta energy: -29.774
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: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1685.829735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.829735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.829735 (E_RNA)
where:
Base-Base interactions energy: -1189.250
where: short stacking energy: -519.654
Base-Backbone interact. energy: -2.945
local terms energy: -493.634288
where:
bonds (distance) C4'-P energy: -92.947
bonds (distance) P-C4' energy: -82.311
flat angles C4'-P-C4' energy: -105.839
flat angles P-C4'-P energy: -63.936
tors. eta vs tors. theta energy: -148.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1587.161342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.161342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.161342 (E_RNA)
where:
Base-Base interactions energy: -1109.422
where: short stacking energy: -469.723
Base-Backbone interact. energy: -2.682
local terms energy: -475.057390
where:
bonds (distance) C4'-P energy: -89.134
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -101.099
flat angles P-C4'-P energy: -63.311
tors. eta vs tors. theta energy: -134.494
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: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1527.197661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.197661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.197661 (E_RNA)
where:
Base-Base interactions energy: -1062.636
where: short stacking energy: -476.335
Base-Backbone interact. energy: 2.717
local terms energy: -467.278764
where:
bonds (distance) C4'-P energy: -73.132
bonds (distance) P-C4' energy: -92.086
flat angles C4'-P-C4' energy: -101.438
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -129.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1456.872762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.872762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.872762 (E_RNA)
where:
Base-Base interactions energy: -1005.410
where: short stacking energy: -445.231
Base-Backbone interact. energy: -1.786
local terms energy: -449.677149
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -83.132
flat angles C4'-P-C4' energy: -100.251
flat angles P-C4'-P energy: -58.035
tors. eta vs tors. theta energy: -129.060
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: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1395.847630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.847630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.847630 (E_RNA)
where:
Base-Base interactions energy: -934.010
where: short stacking energy: -441.098
Base-Backbone interact. energy: -1.959
local terms energy: -459.878739
where:
bonds (distance) C4'-P energy: -75.346
bonds (distance) P-C4' energy: -87.524
flat angles C4'-P-C4' energy: -97.138
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -132.237
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: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1254.250243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.250243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.250243 (E_RNA)
where:
Base-Base interactions energy: -868.169
where: short stacking energy: -397.694
Base-Backbone interact. energy: -2.824
local terms energy: -383.257570
where:
bonds (distance) C4'-P energy: -67.997
bonds (distance) P-C4' energy: -83.081
flat angles C4'-P-C4' energy: -82.104
flat angles P-C4'-P energy: -57.189
tors. eta vs tors. theta energy: -92.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1164.125115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.125115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.125115 (E_RNA)
where:
Base-Base interactions energy: -760.590
where: short stacking energy: -340.938
Base-Backbone interact. energy: -3.833
local terms energy: -399.701292
where:
bonds (distance) C4'-P energy: -74.074
bonds (distance) P-C4' energy: -86.624
flat angles C4'-P-C4' energy: -85.799
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: -95.154
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: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -962.949672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.949672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.949672 (E_RNA)
where:
Base-Base interactions energy: -639.091
where: short stacking energy: -275.140
Base-Backbone interact. energy: -2.915
local terms energy: -320.943489
where:
bonds (distance) C4'-P energy: -77.092
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -58.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -714.172294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.172294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.172294 (E_RNA)
where:
Base-Base interactions energy: -420.013
where: short stacking energy: -220.362
Base-Backbone interact. energy: -1.259
local terms energy: -292.899475
where:
bonds (distance) C4'-P energy: -78.348
bonds (distance) P-C4' energy: -73.019
flat angles C4'-P-C4' energy: -67.511
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -31.507
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: 420
Temperature: 1.350000
Total energy: -695.750224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.750224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.750224 (E_RNA)
where:
Base-Base interactions energy: -405.078
where: short stacking energy: -203.458
Base-Backbone interact. energy: 0.551
local terms energy: -291.223268
where:
bonds (distance) C4'-P energy: -69.111
bonds (distance) P-C4' energy: -86.132
flat angles C4'-P-C4' energy: -74.255
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1705.923241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.923241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.923241 (E_RNA)
where:
Base-Base interactions energy: -1191.234
where: short stacking energy: -521.231
Base-Backbone interact. energy: -2.431
local terms energy: -512.257817
where:
bonds (distance) C4'-P energy: -88.961
bonds (distance) P-C4' energy: -92.486
flat angles C4'-P-C4' energy: -105.390
flat angles P-C4'-P energy: -73.422
tors. eta vs tors. theta energy: -151.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1571.206391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.206391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.206391 (E_RNA)
where:
Base-Base interactions energy: -1092.519
where: short stacking energy: -460.145
Base-Backbone interact. energy: -2.021
local terms energy: -476.666647
where:
bonds (distance) C4'-P energy: -88.373
bonds (distance) P-C4' energy: -85.861
flat angles C4'-P-C4' energy: -90.612
flat angles P-C4'-P energy: -73.317
tors. eta vs tors. theta energy: -138.504
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1516.440747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.440747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.440747 (E_RNA)
where:
Base-Base interactions energy: -1060.805
where: short stacking energy: -456.780
Base-Backbone interact. energy: -3.713
local terms energy: -451.922808
where:
bonds (distance) C4'-P energy: -91.426
bonds (distance) P-C4' energy: -77.093
flat angles C4'-P-C4' energy: -95.729
flat angles P-C4'-P energy: -65.850
tors. eta vs tors. theta energy: -121.824
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: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1450.570082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.570082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.570082 (E_RNA)
where:
Base-Base interactions energy: -980.696
where: short stacking energy: -434.805
Base-Backbone interact. energy: 1.251
local terms energy: -471.124599
where:
bonds (distance) C4'-P energy: -78.572
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -101.296
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -122.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1365.818188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.818188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.818188 (E_RNA)
where:
Base-Base interactions energy: -920.092
where: short stacking energy: -407.706
Base-Backbone interact. energy: 0.659
local terms energy: -446.385223
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -88.564
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -56.147
tors. eta vs tors. theta energy: -121.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1245.943563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.943563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.943563 (E_RNA)
where:
Base-Base interactions energy: -862.848
where: short stacking energy: -370.031
Base-Backbone interact. energy: -2.307
local terms energy: -380.789050
where:
bonds (distance) C4'-P energy: -74.798
bonds (distance) P-C4' energy: -79.684
flat angles C4'-P-C4' energy: -87.693
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -84.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1187.272808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.272808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.272808 (E_RNA)
where:
Base-Base interactions energy: -804.721
where: short stacking energy: -357.059
Base-Backbone interact. energy: 0.244
local terms energy: -382.795738
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -95.368
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -94.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1001.140209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.140209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.140209 (E_RNA)
where:
Base-Base interactions energy: -657.005
where: short stacking energy: -303.107
Base-Backbone interact. energy: 3.589
local terms energy: -347.724645
where:
bonds (distance) C4'-P energy: -82.753
bonds (distance) P-C4' energy: -81.651
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -61.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -724.195356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.195356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.195356 (E_RNA)
where:
Base-Base interactions energy: -420.448
where: short stacking energy: -218.648
Base-Backbone interact. energy: 0.201
local terms energy: -303.948135
where:
bonds (distance) C4'-P energy: -76.932
bonds (distance) P-C4' energy: -70.530
flat angles C4'-P-C4' energy: -87.860
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -23.838
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: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -706.099594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.099594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.099594 (E_RNA)
where:
Base-Base interactions energy: -434.083
where: short stacking energy: -225.378
Base-Backbone interact. energy: 6.007
local terms energy: -278.023384
where:
bonds (distance) C4'-P energy: -79.148
bonds (distance) P-C4' energy: -71.116
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -29.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1689.882064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.882064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.882064 (E_RNA)
where:
Base-Base interactions energy: -1178.666
where: short stacking energy: -512.175
Base-Backbone interact. energy: -3.184
local terms energy: -508.032151
where:
bonds (distance) C4'-P energy: -94.227
bonds (distance) P-C4' energy: -90.565
flat angles C4'-P-C4' energy: -108.012
flat angles P-C4'-P energy: -71.679
tors. eta vs tors. theta energy: -143.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1584.003815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.003815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.003815 (E_RNA)
where:
Base-Base interactions energy: -1105.751
where: short stacking energy: -470.731
Base-Backbone interact. energy: -1.574
local terms energy: -476.679348
where:
bonds (distance) C4'-P energy: -94.048
bonds (distance) P-C4' energy: -76.256
flat angles C4'-P-C4' energy: -104.988
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -139.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1500.650744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.650744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.650744 (E_RNA)
where:
Base-Base interactions energy: -1020.031
where: short stacking energy: -459.073
Base-Backbone interact. energy: -2.340
local terms energy: -478.279634
where:
bonds (distance) C4'-P energy: -86.750
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -97.453
flat angles P-C4'-P energy: -65.869
tors. eta vs tors. theta energy: -136.401
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: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1446.506896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.506896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.506896 (E_RNA)
where:
Base-Base interactions energy: -1014.999
where: short stacking energy: -434.715
Base-Backbone interact. energy: -0.942
local terms energy: -430.565385
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -94.109
flat angles P-C4'-P energy: -58.807
tors. eta vs tors. theta energy: -120.296
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1343.693892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.693892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.693892 (E_RNA)
where:
Base-Base interactions energy: -918.253
where: short stacking energy: -407.255
Base-Backbone interact. energy: 1.371
local terms energy: -426.811796
where:
bonds (distance) C4'-P energy: -66.780
bonds (distance) P-C4' energy: -80.795
flat angles C4'-P-C4' energy: -90.021
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -120.107
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: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1224.511114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.511114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.511114 (E_RNA)
where:
Base-Base interactions energy: -837.446
where: short stacking energy: -363.536
Base-Backbone interact. energy: 3.072
local terms energy: -390.136822
where:
bonds (distance) C4'-P energy: -79.552
bonds (distance) P-C4' energy: -88.967
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -84.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1239.389125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.389125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.389125 (E_RNA)
where:
Base-Base interactions energy: -856.226
where: short stacking energy: -404.236
Base-Backbone interact. energy: -0.071
local terms energy: -383.092344
where:
bonds (distance) C4'-P energy: -60.623
bonds (distance) P-C4' energy: -63.986
flat angles C4'-P-C4' energy: -93.241
flat angles P-C4'-P energy: -61.806
tors. eta vs tors. theta energy: -103.436
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: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -980.930093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.930093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.930093 (E_RNA)
where:
Base-Base interactions energy: -670.581
where: short stacking energy: -308.028
Base-Backbone interact. energy: 0.062
local terms energy: -310.411207
where:
bonds (distance) C4'-P energy: -73.795
bonds (distance) P-C4' energy: -62.326
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -61.040
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -724.922458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.922458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.922458 (E_RNA)
where:
Base-Base interactions energy: -444.007
where: short stacking energy: -204.111
Base-Backbone interact. energy: 4.484
local terms energy: -285.399052
where:
bonds (distance) C4'-P energy: -79.805
bonds (distance) P-C4' energy: -73.016
flat angles C4'-P-C4' energy: -73.122
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -674.435573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.435573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.435573 (E_RNA)
where:
Base-Base interactions energy: -384.788
where: short stacking energy: -188.569
Base-Backbone interact. energy: 5.228
local terms energy: -294.875147
where:
bonds (distance) C4'-P energy: -59.872
bonds (distance) P-C4' energy: -82.990
flat angles C4'-P-C4' energy: -77.704
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1691.769895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.769895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.769895 (E_RNA)
where:
Base-Base interactions energy: -1176.840
where: short stacking energy: -514.681
Base-Backbone interact. energy: -4.781
local terms energy: -510.149113
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -105.627
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -150.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1607.411088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.411088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.411088 (E_RNA)
where:
Base-Base interactions energy: -1120.397
where: short stacking energy: -486.031
Base-Backbone interact. energy: -2.535
local terms energy: -484.479671
where:
bonds (distance) C4'-P energy: -98.088
bonds (distance) P-C4' energy: -90.441
flat angles C4'-P-C4' energy: -101.048
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -134.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1521.581659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.581659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.581659 (E_RNA)
where:
Base-Base interactions energy: -1060.801
where: short stacking energy: -460.322
Base-Backbone interact. energy: -0.276
local terms energy: -460.505291
where:
bonds (distance) C4'-P energy: -69.391
bonds (distance) P-C4' energy: -90.938
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -76.122
tors. eta vs tors. theta energy: -130.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1459.664923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.664923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.664923 (E_RNA)
where:
Base-Base interactions energy: -1013.942
where: short stacking energy: -432.117
Base-Backbone interact. energy: 0.671
local terms energy: -446.393712
where:
bonds (distance) C4'-P energy: -86.353
bonds (distance) P-C4' energy: -76.700
flat angles C4'-P-C4' energy: -102.712
flat angles P-C4'-P energy: -76.556
tors. eta vs tors. theta energy: -104.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1365.148533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.148533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.148533 (E_RNA)
where:
Base-Base interactions energy: -945.515
where: short stacking energy: -422.029
Base-Backbone interact. energy: 0.155
local terms energy: -419.788818
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -85.645
flat angles C4'-P-C4' energy: -89.955
flat angles P-C4'-P energy: -65.081
tors. eta vs tors. theta energy: -112.233
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: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1227.729249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.729249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.729249 (E_RNA)
where:
Base-Base interactions energy: -839.613
where: short stacking energy: -380.085
Base-Backbone interact. energy: -2.294
local terms energy: -385.822547
where:
bonds (distance) C4'-P energy: -65.730
bonds (distance) P-C4' energy: -78.901
flat angles C4'-P-C4' energy: -98.524
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -91.403
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: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1192.405450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.405450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.405450 (E_RNA)
where:
Base-Base interactions energy: -801.462
where: short stacking energy: -361.349
Base-Backbone interact. energy: 2.106
local terms energy: -393.049163
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -81.406
flat angles C4'-P-C4' energy: -91.453
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -87.431
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: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -948.661149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.661149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.661149 (E_RNA)
where:
Base-Base interactions energy: -631.367
where: short stacking energy: -277.016
Base-Backbone interact. energy: 0.726
local terms energy: -318.020558
where:
bonds (distance) C4'-P energy: -60.376
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -55.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -722.761598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.761598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.761598 (E_RNA)
where:
Base-Base interactions energy: -433.910
where: short stacking energy: -212.626
Base-Backbone interact. energy: 5.550
local terms energy: -294.401842
where:
bonds (distance) C4'-P energy: -75.855
bonds (distance) P-C4' energy: -64.514
flat angles C4'-P-C4' energy: -83.209
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -667.984494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.984494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.984494 (E_RNA)
where:
Base-Base interactions energy: -385.172
where: short stacking energy: -193.238
Base-Backbone interact. energy: 0.942
local terms energy: -283.753660
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -81.002
flat angles C4'-P-C4' energy: -66.824
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1677.029670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.029670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.029670 (E_RNA)
where:
Base-Base interactions energy: -1159.499
where: short stacking energy: -502.929
Base-Backbone interact. energy: -2.563
local terms energy: -514.967711
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -87.814
flat angles C4'-P-C4' energy: -103.549
flat angles P-C4'-P energy: -78.898
tors. eta vs tors. theta energy: -147.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1580.079314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.079314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.079314 (E_RNA)
where:
Base-Base interactions energy: -1087.321
where: short stacking energy: -466.825
Base-Backbone interact. energy: -0.614
local terms energy: -492.144567
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -110.711
flat angles P-C4'-P energy: -74.178
tors. eta vs tors. theta energy: -133.733
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1506.031894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.031894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.031894 (E_RNA)
where:
Base-Base interactions energy: -1031.840
where: short stacking energy: -473.837
Base-Backbone interact. energy: -1.692
local terms energy: -472.499275
where:
bonds (distance) C4'-P energy: -87.480
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -98.765
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -130.571
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: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1476.987358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.987358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.987358 (E_RNA)
where:
Base-Base interactions energy: -1025.076
where: short stacking energy: -432.395
Base-Backbone interact. energy: -2.540
local terms energy: -449.371228
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -76.603
flat angles C4'-P-C4' energy: -99.027
flat angles P-C4'-P energy: -65.106
tors. eta vs tors. theta energy: -120.008
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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1353.130992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.130992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.130992 (E_RNA)
where:
Base-Base interactions energy: -917.892
where: short stacking energy: -430.678
Base-Backbone interact. energy: -1.165
local terms energy: -434.074749
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -76.135
flat angles C4'-P-C4' energy: -102.117
flat angles P-C4'-P energy: -69.880
tors. eta vs tors. theta energy: -122.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1270.621380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.621380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.621380 (E_RNA)
where:
Base-Base interactions energy: -873.585
where: short stacking energy: -388.582
Base-Backbone interact. energy: -2.879
local terms energy: -394.157263
where:
bonds (distance) C4'-P energy: -80.558
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -87.853
flat angles P-C4'-P energy: -49.386
tors. eta vs tors. theta energy: -90.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1186.419569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.419569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.419569 (E_RNA)
where:
Base-Base interactions energy: -779.862
where: short stacking energy: -356.904
Base-Backbone interact. energy: 0.609
local terms energy: -407.166705
where:
bonds (distance) C4'-P energy: -76.664
bonds (distance) P-C4' energy: -77.267
flat angles C4'-P-C4' energy: -100.194
flat angles P-C4'-P energy: -58.849
tors. eta vs tors. theta energy: -94.193
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: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -994.510944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.510944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.510944 (E_RNA)
where:
Base-Base interactions energy: -674.958
where: short stacking energy: -293.077
Base-Backbone interact. energy: -0.845
local terms energy: -318.708174
where:
bonds (distance) C4'-P energy: -61.512
bonds (distance) P-C4' energy: -77.332
flat angles C4'-P-C4' energy: -77.751
flat angles P-C4'-P energy: -47.615
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: 424
Temperature: 1.300000
Total energy: -719.850726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.850726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.850726 (E_RNA)
where:
Base-Base interactions energy: -433.857
where: short stacking energy: -210.448
Base-Backbone interact. energy: -0.622
local terms energy: -285.372011
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -68.483
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -657.556659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.556659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.556659 (E_RNA)
where:
Base-Base interactions energy: -391.359
where: short stacking energy: -188.926
Base-Backbone interact. energy: 1.490
local terms energy: -267.687636
where:
bonds (distance) C4'-P energy: -67.529
bonds (distance) P-C4' energy: -67.695
flat angles C4'-P-C4' energy: -75.003
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1680.026120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.026120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.026120 (E_RNA)
where:
Base-Base interactions energy: -1157.421
where: short stacking energy: -504.401
Base-Backbone interact. energy: -4.271
local terms energy: -518.334316
where:
bonds (distance) C4'-P energy: -95.712
bonds (distance) P-C4' energy: -91.533
flat angles C4'-P-C4' energy: -112.058
flat angles P-C4'-P energy: -73.275
tors. eta vs tors. theta energy: -145.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1597.740795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.740795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.740795 (E_RNA)
where:
Base-Base interactions energy: -1108.049
where: short stacking energy: -485.682
Base-Backbone interact. energy: -0.638
local terms energy: -489.053792
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -87.161
flat angles C4'-P-C4' energy: -103.463
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -140.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1526.749881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.749881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.749881 (E_RNA)
where:
Base-Base interactions energy: -1043.524
where: short stacking energy: -457.312
Base-Backbone interact. energy: -3.220
local terms energy: -480.006591
where:
bonds (distance) C4'-P energy: -79.273
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -106.822
flat angles P-C4'-P energy: -70.859
tors. eta vs tors. theta energy: -131.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1474.719254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.719254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.719254 (E_RNA)
where:
Base-Base interactions energy: -1017.017
where: short stacking energy: -430.486
Base-Backbone interact. energy: -3.224
local terms energy: -454.478726
where:
bonds (distance) C4'-P energy: -91.079
bonds (distance) P-C4' energy: -82.116
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -66.113
tors. eta vs tors. theta energy: -120.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1374.386225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.386225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.386225 (E_RNA)
where:
Base-Base interactions energy: -925.722
where: short stacking energy: -406.787
Base-Backbone interact. energy: -1.744
local terms energy: -446.920102
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -90.662
flat angles C4'-P-C4' energy: -99.856
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -119.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1271.778228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.778228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.778228 (E_RNA)
where:
Base-Base interactions energy: -878.191
where: short stacking energy: -378.638
Base-Backbone interact. energy: 0.200
local terms energy: -393.787528
where:
bonds (distance) C4'-P energy: -83.256
bonds (distance) P-C4' energy: -80.900
flat angles C4'-P-C4' energy: -79.204
flat angles P-C4'-P energy: -62.310
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1226.504327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.504327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.504327 (E_RNA)
where:
Base-Base interactions energy: -858.980
where: short stacking energy: -385.541
Base-Backbone interact. energy: 0.319
local terms energy: -367.843187
where:
bonds (distance) C4'-P energy: -64.769
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -109.593
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: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1028.773504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.773504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.773504 (E_RNA)
where:
Base-Base interactions energy: -696.508
where: short stacking energy: -300.101
Base-Backbone interact. energy: -0.391
local terms energy: -331.874815
where:
bonds (distance) C4'-P energy: -70.181
bonds (distance) P-C4' energy: -72.050
flat angles C4'-P-C4' energy: -85.749
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -68.050
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: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -718.547968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.547968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.547968 (E_RNA)
where:
Base-Base interactions energy: -410.331
where: short stacking energy: -221.226
Base-Backbone interact. energy: 3.705
local terms energy: -311.921829
where:
bonds (distance) C4'-P energy: -71.123
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -57.871
tors. eta vs tors. theta energy: -38.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -645.362436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.362436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.362436 (E_RNA)
where:
Base-Base interactions energy: -358.589
where: short stacking energy: -196.411
Base-Backbone interact. energy: 0.211
local terms energy: -286.984246
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -80.815
flat angles C4'-P-C4' energy: -75.325
flat angles P-C4'-P energy: -36.290
tors. eta vs tors. theta energy: -29.924
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: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1691.237698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.237698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.237698 (E_RNA)
where:
Base-Base interactions energy: -1164.524
where: short stacking energy: -504.610
Base-Backbone interact. energy: -0.466
local terms energy: -526.247423
where:
bonds (distance) C4'-P energy: -92.838
bonds (distance) P-C4' energy: -90.137
flat angles C4'-P-C4' energy: -110.122
flat angles P-C4'-P energy: -80.983
tors. eta vs tors. theta energy: -152.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1582.662827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.662827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.662827 (E_RNA)
where:
Base-Base interactions energy: -1122.971
where: short stacking energy: -477.867
Base-Backbone interact. energy: -0.625
local terms energy: -459.066894
where:
bonds (distance) C4'-P energy: -83.045
bonds (distance) P-C4' energy: -78.267
flat angles C4'-P-C4' energy: -93.478
flat angles P-C4'-P energy: -59.141
tors. eta vs tors. theta energy: -145.136
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: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1501.602858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.602858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.602858 (E_RNA)
where:
Base-Base interactions energy: -1008.382
where: short stacking energy: -451.600
Base-Backbone interact. energy: 1.932
local terms energy: -495.152861
where:
bonds (distance) C4'-P energy: -88.106
bonds (distance) P-C4' energy: -86.072
flat angles C4'-P-C4' energy: -110.494
flat angles P-C4'-P energy: -74.744
tors. eta vs tors. theta energy: -135.737
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: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1452.773703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.773703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.773703 (E_RNA)
where:
Base-Base interactions energy: -1028.221
where: short stacking energy: -436.650
Base-Backbone interact. energy: -1.771
local terms energy: -422.782346
where:
bonds (distance) C4'-P energy: -75.347
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -89.273
flat angles P-C4'-P energy: -57.186
tors. eta vs tors. theta energy: -124.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1370.290194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.290194 (E_RNA)
where:
Base-Base interactions energy: -923.154
where: short stacking energy: -427.249
Base-Backbone interact. energy: -0.722
local terms energy: -446.414728
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -86.540
flat angles C4'-P-C4' energy: -92.328
flat angles P-C4'-P energy: -52.804
tors. eta vs tors. theta energy: -123.099
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: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1259.661416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.661416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.661416 (E_RNA)
where:
Base-Base interactions energy: -885.507
where: short stacking energy: -383.528
Base-Backbone interact. energy: 3.362
local terms energy: -377.516044
where:
bonds (distance) C4'-P energy: -58.658
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -81.383
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -90.235
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: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1239.078006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.078006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.078006 (E_RNA)
where:
Base-Base interactions energy: -853.079
where: short stacking energy: -367.594
Base-Backbone interact. energy: 0.643
local terms energy: -386.642654
where:
bonds (distance) C4'-P energy: -76.416
bonds (distance) P-C4' energy: -73.042
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -55.391
tors. eta vs tors. theta energy: -94.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1043.927870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.927870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.927870 (E_RNA)
where:
Base-Base interactions energy: -689.174
where: short stacking energy: -297.410
Base-Backbone interact. energy: -1.314
local terms energy: -353.440100
where:
bonds (distance) C4'-P energy: -85.237
bonds (distance) P-C4' energy: -67.345
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -63.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -745.648229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.648229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.648229 (E_RNA)
where:
Base-Base interactions energy: -440.645
where: short stacking energy: -204.000
Base-Backbone interact. energy: 2.372
local terms energy: -307.375000
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -80.690
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -29.010
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: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -647.257748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.257748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.257748 (E_RNA)
where:
Base-Base interactions energy: -367.948
where: short stacking energy: -187.831
Base-Backbone interact. energy: 12.775
local terms energy: -292.084872
where:
bonds (distance) C4'-P energy: -92.479
bonds (distance) P-C4' energy: -70.732
flat angles C4'-P-C4' energy: -69.149
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1693.326240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.326240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.326240 (E_RNA)
where:
Base-Base interactions energy: -1199.600
where: short stacking energy: -513.889
Base-Backbone interact. energy: -2.851
local terms energy: -490.874674
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -84.071
flat angles C4'-P-C4' energy: -105.440
flat angles P-C4'-P energy: -69.824
tors. eta vs tors. theta energy: -144.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1579.015160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.015160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.015160 (E_RNA)
where:
Base-Base interactions energy: -1096.818
where: short stacking energy: -474.831
Base-Backbone interact. energy: 1.454
local terms energy: -483.651416
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -86.822
flat angles C4'-P-C4' energy: -101.167
flat angles P-C4'-P energy: -70.640
tors. eta vs tors. theta energy: -136.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1503.706679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.706679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.706679 (E_RNA)
where:
Base-Base interactions energy: -1044.391
where: short stacking energy: -453.843
Base-Backbone interact. energy: 4.937
local terms energy: -464.252828
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -86.166
flat angles C4'-P-C4' energy: -89.435
flat angles P-C4'-P energy: -66.093
tors. eta vs tors. theta energy: -138.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1442.324164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.324164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.324164 (E_RNA)
where:
Base-Base interactions energy: -1010.083
where: short stacking energy: -429.876
Base-Backbone interact. energy: -2.235
local terms energy: -430.006465
where:
bonds (distance) C4'-P energy: -80.217
bonds (distance) P-C4' energy: -88.045
flat angles C4'-P-C4' energy: -89.816
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -113.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1394.720963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.720963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.720963 (E_RNA)
where:
Base-Base interactions energy: -931.107
where: short stacking energy: -413.494
Base-Backbone interact. energy: -1.162
local terms energy: -462.451300
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -94.229
flat angles C4'-P-C4' energy: -89.975
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -129.927
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: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1273.909301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.909301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.909301 (E_RNA)
where:
Base-Base interactions energy: -852.486
where: short stacking energy: -382.893
Base-Backbone interact. energy: -4.185
local terms energy: -417.238083
where:
bonds (distance) C4'-P energy: -87.922
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -93.741
flat angles P-C4'-P energy: -54.838
tors. eta vs tors. theta energy: -101.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1214.155719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.155719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.155719 (E_RNA)
where:
Base-Base interactions energy: -816.206
where: short stacking energy: -361.826
Base-Backbone interact. energy: -5.485
local terms energy: -392.464686
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -86.761
flat angles C4'-P-C4' energy: -89.724
flat angles P-C4'-P energy: -56.645
tors. eta vs tors. theta energy: -94.444
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: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1036.042722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.042722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.042722 (E_RNA)
where:
Base-Base interactions energy: -705.989
where: short stacking energy: -299.368
Base-Backbone interact. energy: 4.816
local terms energy: -334.869098
where:
bonds (distance) C4'-P energy: -75.360
bonds (distance) P-C4' energy: -76.907
flat angles C4'-P-C4' energy: -83.610
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -56.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -689.274667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.274667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.274667 (E_RNA)
where:
Base-Base interactions energy: -388.394
where: short stacking energy: -191.054
Base-Backbone interact. energy: -1.962
local terms energy: -298.918510
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -89.923
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -26.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -676.770399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.770399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.770399 (E_RNA)
where:
Base-Base interactions energy: -423.900
where: short stacking energy: -212.981
Base-Backbone interact. energy: 0.817
local terms energy: -253.687407
where:
bonds (distance) C4'-P energy: -58.874
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -70.973
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: -30.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1712.728525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.728525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.728525 (E_RNA)
where:
Base-Base interactions energy: -1182.392
where: short stacking energy: -526.332
Base-Backbone interact. energy: -5.312
local terms energy: -525.024164
where:
bonds (distance) C4'-P energy: -98.450
bonds (distance) P-C4' energy: -90.200
flat angles C4'-P-C4' energy: -116.151
flat angles P-C4'-P energy: -66.750
tors. eta vs tors. theta energy: -153.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1598.390717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.390717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.390717 (E_RNA)
where:
Base-Base interactions energy: -1095.648
where: short stacking energy: -462.856
Base-Backbone interact. energy: -1.473
local terms energy: -501.269613
where:
bonds (distance) C4'-P energy: -103.189
bonds (distance) P-C4' energy: -82.453
flat angles C4'-P-C4' energy: -106.770
flat angles P-C4'-P energy: -72.415
tors. eta vs tors. theta energy: -136.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1528.287924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.287924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.287924 (E_RNA)
where:
Base-Base interactions energy: -1054.754
where: short stacking energy: -479.228
Base-Backbone interact. energy: -2.672
local terms energy: -470.861467
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -93.171
flat angles C4'-P-C4' energy: -97.743
flat angles P-C4'-P energy: -67.534
tors. eta vs tors. theta energy: -134.002
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1476.035594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.035594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.035594 (E_RNA)
where:
Base-Base interactions energy: -1042.839
where: short stacking energy: -442.410
Base-Backbone interact. energy: -0.690
local terms energy: -432.505700
where:
bonds (distance) C4'-P energy: -79.139
bonds (distance) P-C4' energy: -83.889
flat angles C4'-P-C4' energy: -90.243
flat angles P-C4'-P energy: -60.347
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: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1369.899798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.899798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.899798 (E_RNA)
where:
Base-Base interactions energy: -940.975
where: short stacking energy: -412.604
Base-Backbone interact. energy: 0.377
local terms energy: -429.301729
where:
bonds (distance) C4'-P energy: -74.970
bonds (distance) P-C4' energy: -91.581
flat angles C4'-P-C4' energy: -98.327
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -109.739
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: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1306.025430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.025430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.025430 (E_RNA)
where:
Base-Base interactions energy: -881.534
where: short stacking energy: -390.472
Base-Backbone interact. energy: 0.726
local terms energy: -425.218051
where:
bonds (distance) C4'-P energy: -80.284
bonds (distance) P-C4' energy: -88.954
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -60.507
tors. eta vs tors. theta energy: -100.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1200.588565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.588565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.588565 (E_RNA)
where:
Base-Base interactions energy: -834.684
where: short stacking energy: -352.253
Base-Backbone interact. energy: 1.587
local terms energy: -367.491400
where:
bonds (distance) C4'-P energy: -74.047
bonds (distance) P-C4' energy: -78.674
flat angles C4'-P-C4' energy: -70.026
flat angles P-C4'-P energy: -65.310
tors. eta vs tors. theta energy: -79.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -991.490112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.490112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.490112 (E_RNA)
where:
Base-Base interactions energy: -659.017
where: short stacking energy: -301.873
Base-Backbone interact. energy: 1.683
local terms energy: -334.155664
where:
bonds (distance) C4'-P energy: -82.655
bonds (distance) P-C4' energy: -76.340
flat angles C4'-P-C4' energy: -66.346
flat angles P-C4'-P energy: -48.390
tors. eta vs tors. theta energy: -60.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -717.151312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.151312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.151312 (E_RNA)
where:
Base-Base interactions energy: -393.724
where: short stacking energy: -188.497
Base-Backbone interact. energy: 0.229
local terms energy: -323.655998
where:
bonds (distance) C4'-P energy: -84.702
bonds (distance) P-C4' energy: -78.962
flat angles C4'-P-C4' energy: -80.313
flat angles P-C4'-P energy: -52.121
tors. eta vs tors. theta energy: -27.558
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: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -653.994654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.994654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.994654 (E_RNA)
where:
Base-Base interactions energy: -379.296
where: short stacking energy: -195.025
Base-Backbone interact. energy: -0.113
local terms energy: -274.586416
where:
bonds (distance) C4'-P energy: -54.264
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1692.016842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.016842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.016842 (E_RNA)
where:
Base-Base interactions energy: -1164.073
where: short stacking energy: -518.582
Base-Backbone interact. energy: -2.151
local terms energy: -525.792867
where:
bonds (distance) C4'-P energy: -85.125
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -104.853
flat angles P-C4'-P energy: -82.953
tors. eta vs tors. theta energy: -153.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1599.466004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.466004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.466004 (E_RNA)
where:
Base-Base interactions energy: -1106.704
where: short stacking energy: -487.714
Base-Backbone interact. energy: 0.121
local terms energy: -492.883028
where:
bonds (distance) C4'-P energy: -89.764
bonds (distance) P-C4' energy: -88.770
flat angles C4'-P-C4' energy: -107.732
flat angles P-C4'-P energy: -68.612
tors. eta vs tors. theta energy: -138.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1522.266479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.266479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.266479 (E_RNA)
where:
Base-Base interactions energy: -1055.401
where: short stacking energy: -471.373
Base-Backbone interact. energy: -1.977
local terms energy: -464.888184
where:
bonds (distance) C4'-P energy: -85.687
bonds (distance) P-C4' energy: -98.657
flat angles C4'-P-C4' energy: -96.658
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -125.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1442.816130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.816130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.816130 (E_RNA)
where:
Base-Base interactions energy: -1003.649
where: short stacking energy: -422.263
Base-Backbone interact. energy: -1.962
local terms energy: -437.204710
where:
bonds (distance) C4'-P energy: -85.686
bonds (distance) P-C4' energy: -82.722
flat angles C4'-P-C4' energy: -96.908
flat angles P-C4'-P energy: -62.851
tors. eta vs tors. theta energy: -109.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1353.714746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.714746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.714746 (E_RNA)
where:
Base-Base interactions energy: -918.153
where: short stacking energy: -414.368
Base-Backbone interact. energy: -2.913
local terms energy: -432.648314
where:
bonds (distance) C4'-P energy: -92.731
bonds (distance) P-C4' energy: -79.693
flat angles C4'-P-C4' energy: -89.743
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -122.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1269.835818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.835818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.835818 (E_RNA)
where:
Base-Base interactions energy: -857.204
where: short stacking energy: -366.592
Base-Backbone interact. energy: -1.739
local terms energy: -410.892120
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -89.984
flat angles P-C4'-P energy: -62.251
tors. eta vs tors. theta energy: -87.527
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: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1206.522814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.522814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.522814 (E_RNA)
where:
Base-Base interactions energy: -834.699
where: short stacking energy: -359.713
Base-Backbone interact. energy: -4.499
local terms energy: -367.324659
where:
bonds (distance) C4'-P energy: -69.809
bonds (distance) P-C4' energy: -92.140
flat angles C4'-P-C4' energy: -76.193
flat angles P-C4'-P energy: -49.551
tors. eta vs tors. theta energy: -79.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -953.193584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.193584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.193584 (E_RNA)
where:
Base-Base interactions energy: -646.034
where: short stacking energy: -271.570
Base-Backbone interact. energy: -0.228
local terms energy: -306.931757
where:
bonds (distance) C4'-P energy: -79.492
bonds (distance) P-C4' energy: -64.831
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -41.208
tors. eta vs tors. theta energy: -68.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -786.418396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.418396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.418396 (E_RNA)
where:
Base-Base interactions energy: -441.098
where: short stacking energy: -233.660
Base-Backbone interact. energy: -1.252
local terms energy: -344.068421
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -89.825
flat angles C4'-P-C4' energy: -82.923
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -660.856316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.856316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.856316 (E_RNA)
where:
Base-Base interactions energy: -397.303
where: short stacking energy: -193.186
Base-Backbone interact. energy: -0.531
local terms energy: -263.022274
where:
bonds (distance) C4'-P energy: -74.697
bonds (distance) P-C4' energy: -55.572
flat angles C4'-P-C4' energy: -77.647
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -20.657
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: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1689.244929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.244929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.244929 (E_RNA)
where:
Base-Base interactions energy: -1178.243
where: short stacking energy: -520.316
Base-Backbone interact. energy: -1.079
local terms energy: -509.923536
where:
bonds (distance) C4'-P energy: -79.018
bonds (distance) P-C4' energy: -87.372
flat angles C4'-P-C4' energy: -111.242
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -152.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1574.234439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.234439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.234439 (E_RNA)
where:
Base-Base interactions energy: -1076.611
where: short stacking energy: -464.782
Base-Backbone interact. energy: -0.701
local terms energy: -496.922818
where:
bonds (distance) C4'-P energy: -90.841
bonds (distance) P-C4' energy: -91.441
flat angles C4'-P-C4' energy: -102.480
flat angles P-C4'-P energy: -72.011
tors. eta vs tors. theta energy: -140.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1479.278666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.278666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.278666 (E_RNA)
where:
Base-Base interactions energy: -1017.862
where: short stacking energy: -428.559
Base-Backbone interact. energy: 3.861
local terms energy: -465.277982
where:
bonds (distance) C4'-P energy: -88.756
bonds (distance) P-C4' energy: -88.017
flat angles C4'-P-C4' energy: -105.199
flat angles P-C4'-P energy: -69.440
tors. eta vs tors. theta energy: -113.866
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1482.659899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.659899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.659899 (E_RNA)
where:
Base-Base interactions energy: -1020.108
where: short stacking energy: -426.264
Base-Backbone interact. energy: -3.202
local terms energy: -459.350243
where:
bonds (distance) C4'-P energy: -78.211
bonds (distance) P-C4' energy: -92.241
flat angles C4'-P-C4' energy: -100.750
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: -121.807
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: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1397.194332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.194332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.194332 (E_RNA)
where:
Base-Base interactions energy: -943.627
where: short stacking energy: -421.743
Base-Backbone interact. energy: -0.494
local terms energy: -453.073138
where:
bonds (distance) C4'-P energy: -80.213
bonds (distance) P-C4' energy: -87.805
flat angles C4'-P-C4' energy: -83.172
flat angles P-C4'-P energy: -66.582
tors. eta vs tors. theta energy: -135.301
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: 430
Temperature: 1.150000
Total energy: -1251.757410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.757410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.757410 (E_RNA)
where:
Base-Base interactions energy: -864.557
where: short stacking energy: -369.210
Base-Backbone interact. energy: -2.516
local terms energy: -384.684478
where:
bonds (distance) C4'-P energy: -75.114
bonds (distance) P-C4' energy: -72.582
flat angles C4'-P-C4' energy: -81.962
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -100.923
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: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1158.164620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.164620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.164620 (E_RNA)
where:
Base-Base interactions energy: -794.877
where: short stacking energy: -335.211
Base-Backbone interact. energy: -0.120
local terms energy: -363.167723
where:
bonds (distance) C4'-P energy: -73.041
bonds (distance) P-C4' energy: -85.203
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -85.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -981.819837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.819837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.819837 (E_RNA)
where:
Base-Base interactions energy: -657.224
where: short stacking energy: -285.278
Base-Backbone interact. energy: 0.339
local terms energy: -324.935002
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -71.145
flat angles C4'-P-C4' energy: -79.045
flat angles P-C4'-P energy: -48.949
tors. eta vs tors. theta energy: -64.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -739.836967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.836967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.836967 (E_RNA)
where:
Base-Base interactions energy: -462.654
where: short stacking energy: -225.209
Base-Backbone interact. energy: 6.626
local terms energy: -283.809073
where:
bonds (distance) C4'-P energy: -61.416
bonds (distance) P-C4' energy: -69.370
flat angles C4'-P-C4' energy: -70.997
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -38.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -672.570887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.570887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.570887 (E_RNA)
where:
Base-Base interactions energy: -392.876
where: short stacking energy: -206.300
Base-Backbone interact. energy: 5.033
local terms energy: -284.728430
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -88.573
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -25.459
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: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1683.244117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.244117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.244117 (E_RNA)
where:
Base-Base interactions energy: -1165.040
where: short stacking energy: -538.093
Base-Backbone interact. energy: -3.390
local terms energy: -514.814604
where:
bonds (distance) C4'-P energy: -89.044
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -108.365
flat angles P-C4'-P energy: -63.702
tors. eta vs tors. theta energy: -152.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1596.018627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.018627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.018627 (E_RNA)
where:
Base-Base interactions energy: -1106.073
where: short stacking energy: -483.095
Base-Backbone interact. energy: -1.562
local terms energy: -488.383880
where:
bonds (distance) C4'-P energy: -87.575
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -107.066
flat angles P-C4'-P energy: -62.070
tors. eta vs tors. theta energy: -141.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1500.589946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.589946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.589946 (E_RNA)
where:
Base-Base interactions energy: -1048.932
where: short stacking energy: -445.006
Base-Backbone interact. energy: 0.346
local terms energy: -452.003747
where:
bonds (distance) C4'-P energy: -79.899
bonds (distance) P-C4' energy: -82.284
flat angles C4'-P-C4' energy: -95.472
flat angles P-C4'-P energy: -72.345
tors. eta vs tors. theta energy: -122.004
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1468.242567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.242567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.242567 (E_RNA)
where:
Base-Base interactions energy: -1033.526
where: short stacking energy: -425.832
Base-Backbone interact. energy: -1.192
local terms energy: -433.525012
where:
bonds (distance) C4'-P energy: -97.516
bonds (distance) P-C4' energy: -76.557
flat angles C4'-P-C4' energy: -83.818
flat angles P-C4'-P energy: -59.447
tors. eta vs tors. theta energy: -116.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1412.018194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.018194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.018194 (E_RNA)
where:
Base-Base interactions energy: -957.980
where: short stacking energy: -442.343
Base-Backbone interact. energy: -1.035
local terms energy: -453.003744
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -89.195
flat angles C4'-P-C4' energy: -91.325
flat angles P-C4'-P energy: -62.191
tors. eta vs tors. theta energy: -122.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1260.687909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.687909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.687909 (E_RNA)
where:
Base-Base interactions energy: -849.922
where: short stacking energy: -402.838
Base-Backbone interact. energy: 5.059
local terms energy: -415.824697
where:
bonds (distance) C4'-P energy: -86.393
bonds (distance) P-C4' energy: -77.808
flat angles C4'-P-C4' energy: -89.371
flat angles P-C4'-P energy: -54.106
tors. eta vs tors. theta energy: -108.146
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: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1145.665582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.665582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.665582 (E_RNA)
where:
Base-Base interactions energy: -782.079
where: short stacking energy: -352.782
Base-Backbone interact. energy: 0.267
local terms energy: -363.853778
where:
bonds (distance) C4'-P energy: -75.818
bonds (distance) P-C4' energy: -74.794
flat angles C4'-P-C4' energy: -84.175
flat angles P-C4'-P energy: -55.268
tors. eta vs tors. theta energy: -73.799
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: 431
Temperature: 1.250000
Total energy: -930.880546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.880546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.880546 (E_RNA)
where:
Base-Base interactions energy: -591.231
where: short stacking energy: -279.250
Base-Backbone interact. energy: -2.323
local terms energy: -337.327088
where:
bonds (distance) C4'-P energy: -74.889
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -79.823
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -54.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -794.997154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.997154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.997154 (E_RNA)
where:
Base-Base interactions energy: -481.395
where: short stacking energy: -248.144
Base-Backbone interact. energy: 0.500
local terms energy: -314.102602
where:
bonds (distance) C4'-P energy: -65.747
bonds (distance) P-C4' energy: -71.698
flat angles C4'-P-C4' energy: -80.842
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -52.635
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -673.643073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.643073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.643073 (E_RNA)
where:
Base-Base interactions energy: -404.738
where: short stacking energy: -203.179
Base-Backbone interact. energy: -3.433
local terms energy: -265.472147
where:
bonds (distance) C4'-P energy: -67.484
bonds (distance) P-C4' energy: -73.790
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1693.013197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.013197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.013197 (E_RNA)
where:
Base-Base interactions energy: -1157.058
where: short stacking energy: -498.315
Base-Backbone interact. energy: -4.815
local terms energy: -531.139915
where:
bonds (distance) C4'-P energy: -97.069
bonds (distance) P-C4' energy: -95.061
flat angles C4'-P-C4' energy: -116.507
flat angles P-C4'-P energy: -76.026
tors. eta vs tors. theta energy: -146.477
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1581.107990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.107990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.107990 (E_RNA)
where:
Base-Base interactions energy: -1096.259
where: short stacking energy: -470.211
Base-Backbone interact. energy: -1.258
local terms energy: -483.590808
where:
bonds (distance) C4'-P energy: -89.217
bonds (distance) P-C4' energy: -100.445
flat angles C4'-P-C4' energy: -94.676
flat angles P-C4'-P energy: -64.494
tors. eta vs tors. theta energy: -134.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1518.387122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.387122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.387122 (E_RNA)
where:
Base-Base interactions energy: -1063.364
where: short stacking energy: -487.212
Base-Backbone interact. energy: 0.052
local terms energy: -455.075367
where:
bonds (distance) C4'-P energy: -73.826
bonds (distance) P-C4' energy: -77.930
flat angles C4'-P-C4' energy: -97.509
flat angles P-C4'-P energy: -64.949
tors. eta vs tors. theta energy: -140.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1449.186092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.186092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.186092 (E_RNA)
where:
Base-Base interactions energy: -994.949
where: short stacking energy: -413.703
Base-Backbone interact. energy: -0.759
local terms energy: -453.477370
where:
bonds (distance) C4'-P energy: -86.439
bonds (distance) P-C4' energy: -92.187
flat angles C4'-P-C4' energy: -90.215
flat angles P-C4'-P energy: -74.172
tors. eta vs tors. theta energy: -110.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1422.509188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.509188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.509188 (E_RNA)
where:
Base-Base interactions energy: -987.068
where: short stacking energy: -439.634
Base-Backbone interact. energy: -1.299
local terms energy: -434.142421
where:
bonds (distance) C4'-P energy: -78.934
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -91.695
flat angles P-C4'-P energy: -60.175
tors. eta vs tors. theta energy: -127.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1281.067427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.067427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.067427 (E_RNA)
where:
Base-Base interactions energy: -862.069
where: short stacking energy: -405.195
Base-Backbone interact. energy: -2.191
local terms energy: -416.807977
where:
bonds (distance) C4'-P energy: -81.353
bonds (distance) P-C4' energy: -72.704
flat angles C4'-P-C4' energy: -98.788
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -107.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1156.894259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.894259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.894259 (E_RNA)
where:
Base-Base interactions energy: -768.551
where: short stacking energy: -356.815
Base-Backbone interact. energy: 4.917
local terms energy: -393.260078
where:
bonds (distance) C4'-P energy: -89.007
bonds (distance) P-C4' energy: -81.361
flat angles C4'-P-C4' energy: -80.534
flat angles P-C4'-P energy: -64.263
tors. eta vs tors. theta energy: -78.095
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: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -972.714898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.714898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.714898 (E_RNA)
where:
Base-Base interactions energy: -640.349
where: short stacking energy: -294.117
Base-Backbone interact. energy: -2.207
local terms energy: -330.159149
where:
bonds (distance) C4'-P energy: -84.366
bonds (distance) P-C4' energy: -66.701
flat angles C4'-P-C4' energy: -81.049
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -50.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -729.786238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.786238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.786238 (E_RNA)
where:
Base-Base interactions energy: -429.123
where: short stacking energy: -228.967
Base-Backbone interact. energy: -0.401
local terms energy: -300.262596
where:
bonds (distance) C4'-P energy: -64.090
bonds (distance) P-C4' energy: -85.870
flat angles C4'-P-C4' energy: -81.727
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -31.854
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: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -752.236481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.236481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.236481 (E_RNA)
where:
Base-Base interactions energy: -451.971
where: short stacking energy: -224.763
Base-Backbone interact. energy: -0.585
local terms energy: -299.680669
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -66.826
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -35.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1688.254331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.254331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.254331 (E_RNA)
where:
Base-Base interactions energy: -1173.412
where: short stacking energy: -514.407
Base-Backbone interact. energy: -6.317
local terms energy: -508.526145
where:
bonds (distance) C4'-P energy: -91.934
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -100.492
flat angles P-C4'-P energy: -74.395
tors. eta vs tors. theta energy: -149.837
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: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1565.905179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.905179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.905179 (E_RNA)
where:
Base-Base interactions energy: -1100.595
where: short stacking energy: -446.173
Base-Backbone interact. energy: -0.640
local terms energy: -464.669830
where:
bonds (distance) C4'-P energy: -82.521
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -104.804
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -125.599
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: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1504.639074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.639074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.639074 (E_RNA)
where:
Base-Base interactions energy: -1031.331
where: short stacking energy: -443.645
Base-Backbone interact. energy: -0.944
local terms energy: -472.363787
where:
bonds (distance) C4'-P energy: -87.379
bonds (distance) P-C4' energy: -84.565
flat angles C4'-P-C4' energy: -99.963
flat angles P-C4'-P energy: -70.599
tors. eta vs tors. theta energy: -129.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1457.828672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.828672 (E_RNA)
where:
Base-Base interactions energy: -998.910
where: short stacking energy: -412.708
Base-Backbone interact. energy: -0.096
local terms energy: -458.822719
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -92.531
flat angles C4'-P-C4' energy: -94.267
flat angles P-C4'-P energy: -70.732
tors. eta vs tors. theta energy: -116.215
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1396.769108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.769108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.769108 (E_RNA)
where:
Base-Base interactions energy: -954.177
where: short stacking energy: -438.929
Base-Backbone interact. energy: -1.509
local terms energy: -441.083482
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -105.902
flat angles P-C4'-P energy: -66.381
tors. eta vs tors. theta energy: -121.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1281.864743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.864743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.864743 (E_RNA)
where:
Base-Base interactions energy: -861.872
where: short stacking energy: -395.520
Base-Backbone interact. energy: 0.462
local terms energy: -420.454483
where:
bonds (distance) C4'-P energy: -76.029
bonds (distance) P-C4' energy: -75.766
flat angles C4'-P-C4' energy: -89.157
flat angles P-C4'-P energy: -62.943
tors. eta vs tors. theta energy: -116.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1094.125079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.125079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.125079 (E_RNA)
where:
Base-Base interactions energy: -731.223
where: short stacking energy: -325.276
Base-Backbone interact. energy: -0.346
local terms energy: -362.556179
where:
bonds (distance) C4'-P energy: -78.469
bonds (distance) P-C4' energy: -89.299
flat angles C4'-P-C4' energy: -83.049
flat angles P-C4'-P energy: -50.766
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: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -975.289085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.289085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.289085 (E_RNA)
where:
Base-Base interactions energy: -652.537
where: short stacking energy: -285.163
Base-Backbone interact. energy: -3.077
local terms energy: -319.675575
where:
bonds (distance) C4'-P energy: -76.166
bonds (distance) P-C4' energy: -73.872
flat angles C4'-P-C4' energy: -65.633
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -68.309
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: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -698.129353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.129353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.129353 (E_RNA)
where:
Base-Base interactions energy: -411.257
where: short stacking energy: -212.998
Base-Backbone interact. energy: 1.405
local terms energy: -288.277257
where:
bonds (distance) C4'-P energy: -71.511
bonds (distance) P-C4' energy: -93.007
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -26.673
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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -672.181121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.181121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.181121 (E_RNA)
where:
Base-Base interactions energy: -404.974
where: short stacking energy: -199.628
Base-Backbone interact. energy: 2.190
local terms energy: -269.397470
where:
bonds (distance) C4'-P energy: -71.488
bonds (distance) P-C4' energy: -72.985
flat angles C4'-P-C4' energy: -61.702
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -15.815
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1693.548264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.548264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.548264 (E_RNA)
where:
Base-Base interactions energy: -1175.295
where: short stacking energy: -522.592
Base-Backbone interact. energy: -3.108
local terms energy: -515.145375
where:
bonds (distance) C4'-P energy: -82.324
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -107.125
flat angles P-C4'-P energy: -75.957
tors. eta vs tors. theta energy: -150.978
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: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1583.726656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.726656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.726656 (E_RNA)
where:
Base-Base interactions energy: -1098.832
where: short stacking energy: -469.479
Base-Backbone interact. energy: -1.875
local terms energy: -483.019976
where:
bonds (distance) C4'-P energy: -86.678
bonds (distance) P-C4' energy: -101.066
flat angles C4'-P-C4' energy: -102.279
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -134.663
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1501.618737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.618737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.618737 (E_RNA)
where:
Base-Base interactions energy: -1030.265
where: short stacking energy: -449.189
Base-Backbone interact. energy: -0.327
local terms energy: -471.026980
where:
bonds (distance) C4'-P energy: -86.031
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -98.442
flat angles P-C4'-P energy: -72.542
tors. eta vs tors. theta energy: -122.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1474.547143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.547143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.547143 (E_RNA)
where:
Base-Base interactions energy: -1028.592
where: short stacking energy: -424.637
Base-Backbone interact. energy: -0.685
local terms energy: -445.269663
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -100.973
flat angles P-C4'-P energy: -75.878
tors. eta vs tors. theta energy: -115.621
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: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1379.128360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.128360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.128360 (E_RNA)
where:
Base-Base interactions energy: -954.870
where: short stacking energy: -422.619
Base-Backbone interact. energy: -0.218
local terms energy: -424.040576
where:
bonds (distance) C4'-P energy: -83.415
bonds (distance) P-C4' energy: -80.214
flat angles C4'-P-C4' energy: -95.351
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -123.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1278.232341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.232341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.232341 (E_RNA)
where:
Base-Base interactions energy: -859.514
where: short stacking energy: -378.326
Base-Backbone interact. energy: 0.258
local terms energy: -418.976535
where:
bonds (distance) C4'-P energy: -76.751
bonds (distance) P-C4' energy: -80.345
flat angles C4'-P-C4' energy: -95.820
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -103.830
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: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1105.496059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.496059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.496059 (E_RNA)
where:
Base-Base interactions energy: -726.952
where: short stacking energy: -336.451
Base-Backbone interact. energy: -0.274
local terms energy: -378.269696
where:
bonds (distance) C4'-P energy: -84.317
bonds (distance) P-C4' energy: -84.929
flat angles C4'-P-C4' energy: -84.412
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -71.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1014.749657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.749657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.749657 (E_RNA)
where:
Base-Base interactions energy: -652.813
where: short stacking energy: -322.731
Base-Backbone interact. energy: -0.878
local terms energy: -361.057741
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -88.962
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -82.753
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: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -694.128603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.128603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.128603 (E_RNA)
where:
Base-Base interactions energy: -401.419
where: short stacking energy: -212.602
Base-Backbone interact. energy: -2.888
local terms energy: -289.821789
where:
bonds (distance) C4'-P energy: -65.574
bonds (distance) P-C4' energy: -74.046
flat angles C4'-P-C4' energy: -78.369
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -717.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.430636 (E_RNA)
where:
Base-Base interactions energy: -430.539
where: short stacking energy: -204.056
Base-Backbone interact. energy: 0.605
local terms energy: -287.497194
where:
bonds (distance) C4'-P energy: -86.425
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -73.985
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -20.430
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: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1700.029689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.029689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.029689 (E_RNA)
where:
Base-Base interactions energy: -1202.220
where: short stacking energy: -538.486
Base-Backbone interact. energy: -4.748
local terms energy: -493.061638
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -100.644
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -151.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1553.743964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.743964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.743964 (E_RNA)
where:
Base-Base interactions energy: -1084.864
where: short stacking energy: -460.376
Base-Backbone interact. energy: -2.856
local terms energy: -466.024814
where:
bonds (distance) C4'-P energy: -89.945
bonds (distance) P-C4' energy: -84.118
flat angles C4'-P-C4' energy: -100.964
flat angles P-C4'-P energy: -57.016
tors. eta vs tors. theta energy: -133.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1525.298334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.298334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.298334 (E_RNA)
where:
Base-Base interactions energy: -1060.725
where: short stacking energy: -466.195
Base-Backbone interact. energy: -4.563
local terms energy: -460.009706
where:
bonds (distance) C4'-P energy: -82.338
bonds (distance) P-C4' energy: -79.287
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -68.012
tors. eta vs tors. theta energy: -128.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1486.322497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.322497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.322497 (E_RNA)
where:
Base-Base interactions energy: -1033.541
where: short stacking energy: -445.193
Base-Backbone interact. energy: -2.464
local terms energy: -450.317559
where:
bonds (distance) C4'-P energy: -87.477
bonds (distance) P-C4' energy: -94.415
flat angles C4'-P-C4' energy: -92.474
flat angles P-C4'-P energy: -61.630
tors. eta vs tors. theta energy: -114.323
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: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1378.205691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.205691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.205691 (E_RNA)
where:
Base-Base interactions energy: -948.744
where: short stacking energy: -435.712
Base-Backbone interact. energy: -1.161
local terms energy: -428.300730
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -74.377
flat angles C4'-P-C4' energy: -92.670
flat angles P-C4'-P energy: -61.901
tors. eta vs tors. theta energy: -126.229
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: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1249.652085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.652085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.652085 (E_RNA)
where:
Base-Base interactions energy: -854.684
where: short stacking energy: -374.372
Base-Backbone interact. energy: -5.572
local terms energy: -389.395919
where:
bonds (distance) C4'-P energy: -70.541
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -85.135
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -91.284
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: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1075.160377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.160377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.160377 (E_RNA)
where:
Base-Base interactions energy: -703.427
where: short stacking energy: -303.067
Base-Backbone interact. energy: -0.200
local terms energy: -371.533604
where:
bonds (distance) C4'-P energy: -85.174
bonds (distance) P-C4' energy: -75.630
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -55.755
tors. eta vs tors. theta energy: -62.385
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: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1030.981275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.981275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.981275 (E_RNA)
where:
Base-Base interactions energy: -697.073
where: short stacking energy: -300.989
Base-Backbone interact. energy: 0.346
local terms energy: -334.254609
where:
bonds (distance) C4'-P energy: -78.131
bonds (distance) P-C4' energy: -68.869
flat angles C4'-P-C4' energy: -83.795
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -61.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -756.256445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.256445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.256445 (E_RNA)
where:
Base-Base interactions energy: -447.824
where: short stacking energy: -250.826
Base-Backbone interact. energy: 2.644
local terms energy: -311.076787
where:
bonds (distance) C4'-P energy: -64.579
bonds (distance) P-C4' energy: -89.555
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -37.863
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: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -665.974421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.974421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.974421 (E_RNA)
where:
Base-Base interactions energy: -388.218
where: short stacking energy: -189.989
Base-Backbone interact. energy: 4.569
local terms energy: -282.325132
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -87.555
flat angles C4'-P-C4' energy: -62.906
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -20.579
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: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1692.385119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.385119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.385119 (E_RNA)
where:
Base-Base interactions energy: -1171.699
where: short stacking energy: -523.314
Base-Backbone interact. energy: -0.638
local terms energy: -520.048828
where:
bonds (distance) C4'-P energy: -82.398
bonds (distance) P-C4' energy: -99.304
flat angles C4'-P-C4' energy: -113.365
flat angles P-C4'-P energy: -77.305
tors. eta vs tors. theta energy: -147.677
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: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1564.163673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.163673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.163673 (E_RNA)
where:
Base-Base interactions energy: -1093.549
where: short stacking energy: -463.463
Base-Backbone interact. energy: -1.513
local terms energy: -469.101583
where:
bonds (distance) C4'-P energy: -85.052
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -105.500
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -129.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1489.962012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.962012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.962012 (E_RNA)
where:
Base-Base interactions energy: -1007.574
where: short stacking energy: -461.539
Base-Backbone interact. energy: -5.494
local terms energy: -476.894163
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -100.009
flat angles C4'-P-C4' energy: -99.220
flat angles P-C4'-P energy: -62.348
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: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1492.304689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.304689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.304689 (E_RNA)
where:
Base-Base interactions energy: -1034.460
where: short stacking energy: -448.547
Base-Backbone interact. energy: -2.473
local terms energy: -455.371330
where:
bonds (distance) C4'-P energy: -69.233
bonds (distance) P-C4' energy: -83.418
flat angles C4'-P-C4' energy: -102.591
flat angles P-C4'-P energy: -76.264
tors. eta vs tors. theta energy: -123.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1379.424593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.424593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.424593 (E_RNA)
where:
Base-Base interactions energy: -935.595
where: short stacking energy: -439.202
Base-Backbone interact. energy: 0.733
local terms energy: -444.562966
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -81.922
flat angles C4'-P-C4' energy: -89.809
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -139.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1260.729533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.729533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.729533 (E_RNA)
where:
Base-Base interactions energy: -846.687
where: short stacking energy: -398.477
Base-Backbone interact. energy: 1.749
local terms energy: -415.792096
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -78.434
flat angles C4'-P-C4' energy: -87.025
flat angles P-C4'-P energy: -56.074
tors. eta vs tors. theta energy: -106.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1103.351042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.351042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.351042 (E_RNA)
where:
Base-Base interactions energy: -740.567
where: short stacking energy: -322.757
Base-Backbone interact. energy: 2.196
local terms energy: -364.980032
where:
bonds (distance) C4'-P energy: -75.942
bonds (distance) P-C4' energy: -70.926
flat angles C4'-P-C4' energy: -91.776
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -78.513
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -976.442814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.442814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.442814 (E_RNA)
where:
Base-Base interactions energy: -615.698
where: short stacking energy: -289.353
Base-Backbone interact. energy: -0.940
local terms energy: -359.805456
where:
bonds (distance) C4'-P energy: -79.295
bonds (distance) P-C4' energy: -84.075
flat angles C4'-P-C4' energy: -81.210
flat angles P-C4'-P energy: -50.884
tors. eta vs tors. theta energy: -64.341
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: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -726.558238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.558238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.558238 (E_RNA)
where:
Base-Base interactions energy: -433.202
where: short stacking energy: -228.026
Base-Backbone interact. energy: -2.472
local terms energy: -290.883501
where:
bonds (distance) C4'-P energy: -59.861
bonds (distance) P-C4' energy: -80.854
flat angles C4'-P-C4' energy: -82.271
flat angles P-C4'-P energy: -36.904
tors. eta vs tors. theta energy: -30.993
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: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -698.490953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.490953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.490953 (E_RNA)
where:
Base-Base interactions energy: -432.549
where: short stacking energy: -203.692
Base-Backbone interact. energy: 11.239
local terms energy: -277.181527
where:
bonds (distance) C4'-P energy: -65.147
bonds (distance) P-C4' energy: -71.266
flat angles C4'-P-C4' energy: -76.846
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -28.311
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: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1699.175631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.175631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.175631 (E_RNA)
where:
Base-Base interactions energy: -1176.447
where: short stacking energy: -527.662
Base-Backbone interact. energy: -6.284
local terms energy: -516.445199
where:
bonds (distance) C4'-P energy: -92.773
bonds (distance) P-C4' energy: -99.763
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -71.720
tors. eta vs tors. theta energy: -147.678
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1543.366241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.366241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.366241 (E_RNA)
where:
Base-Base interactions energy: -1073.808
where: short stacking energy: -470.162
Base-Backbone interact. energy: -1.759
local terms energy: -467.800031
where:
bonds (distance) C4'-P energy: -92.390
bonds (distance) P-C4' energy: -82.956
flat angles C4'-P-C4' energy: -93.506
flat angles P-C4'-P energy: -63.907
tors. eta vs tors. theta energy: -135.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1467.787039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.787039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.787039 (E_RNA)
where:
Base-Base interactions energy: -1010.948
where: short stacking energy: -455.201
Base-Backbone interact. energy: -5.074
local terms energy: -451.765774
where:
bonds (distance) C4'-P energy: -83.322
bonds (distance) P-C4' energy: -78.877
flat angles C4'-P-C4' energy: -102.343
flat angles P-C4'-P energy: -62.760
tors. eta vs tors. theta energy: -124.465
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1538.222136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.222136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.222136 (E_RNA)
where:
Base-Base interactions energy: -1058.095
where: short stacking energy: -443.685
Base-Backbone interact. energy: -1.980
local terms energy: -478.147445
where:
bonds (distance) C4'-P energy: -89.021
bonds (distance) P-C4' energy: -99.540
flat angles C4'-P-C4' energy: -99.158
flat angles P-C4'-P energy: -70.295
tors. eta vs tors. theta energy: -120.134
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: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1399.179139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.179139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.179139 (E_RNA)
where:
Base-Base interactions energy: -947.870
where: short stacking energy: -433.121
Base-Backbone interact. energy: -0.816
local terms energy: -450.492761
where:
bonds (distance) C4'-P energy: -88.073
bonds (distance) P-C4' energy: -83.749
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -56.052
tors. eta vs tors. theta energy: -120.360
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: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1264.582806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.582806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.582806 (E_RNA)
where:
Base-Base interactions energy: -826.273
where: short stacking energy: -385.893
Base-Backbone interact. energy: -2.410
local terms energy: -435.899882
where:
bonds (distance) C4'-P energy: -76.662
bonds (distance) P-C4' energy: -90.510
flat angles C4'-P-C4' energy: -90.765
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -107.006
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1102.569546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.569546 (E_RNA)
where:
Base-Base interactions energy: -752.636
where: short stacking energy: -338.342
Base-Backbone interact. energy: -2.730
local terms energy: -347.203703
where:
bonds (distance) C4'-P energy: -75.673
bonds (distance) P-C4' energy: -69.313
flat angles C4'-P-C4' energy: -76.452
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -75.697
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: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -913.342016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.342016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.342016 (E_RNA)
where:
Base-Base interactions energy: -608.389
where: short stacking energy: -300.747
Base-Backbone interact. energy: -1.845
local terms energy: -303.107856
where:
bonds (distance) C4'-P energy: -58.307
bonds (distance) P-C4' energy: -76.080
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -57.027
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: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -755.996742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.996742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.996742 (E_RNA)
where:
Base-Base interactions energy: -473.568
where: short stacking energy: -228.628
Base-Backbone interact. energy: 6.092
local terms energy: -288.520267
where:
bonds (distance) C4'-P energy: -67.926
bonds (distance) P-C4' energy: -72.781
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -652.814232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.814232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.814232 (E_RNA)
where:
Base-Base interactions energy: -375.778
where: short stacking energy: -196.196
Base-Backbone interact. energy: 3.081
local terms energy: -280.117257
where:
bonds (distance) C4'-P energy: -63.880
bonds (distance) P-C4' energy: -85.096
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -29.408
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1689.152454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.152454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.152454 (E_RNA)
where:
Base-Base interactions energy: -1174.821
where: short stacking energy: -523.752
Base-Backbone interact. energy: -2.540
local terms energy: -511.791988
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -100.106
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -144.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1518.108342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.108342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.108342 (E_RNA)
where:
Base-Base interactions energy: -1036.918
where: short stacking energy: -467.530
Base-Backbone interact. energy: -2.969
local terms energy: -478.221080
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -85.029
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -67.209
tors. eta vs tors. theta energy: -134.518
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1503.623144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.623144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.623144 (E_RNA)
where:
Base-Base interactions energy: -1033.201
where: short stacking energy: -457.453
Base-Backbone interact. energy: -3.755
local terms energy: -466.667056
where:
bonds (distance) C4'-P energy: -90.108
bonds (distance) P-C4' energy: -97.173
flat angles C4'-P-C4' energy: -97.377
flat angles P-C4'-P energy: -58.927
tors. eta vs tors. theta energy: -123.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1475.662232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.662232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.662232 (E_RNA)
where:
Base-Base interactions energy: -1026.403
where: short stacking energy: -421.979
Base-Backbone interact. energy: 0.108
local terms energy: -449.367370
where:
bonds (distance) C4'-P energy: -84.123
bonds (distance) P-C4' energy: -89.161
flat angles C4'-P-C4' energy: -97.727
flat angles P-C4'-P energy: -65.771
tors. eta vs tors. theta energy: -112.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1403.678283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.678283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.678283 (E_RNA)
where:
Base-Base interactions energy: -947.371
where: short stacking energy: -426.527
Base-Backbone interact. energy: -0.043
local terms energy: -456.264433
where:
bonds (distance) C4'-P energy: -90.484
bonds (distance) P-C4' energy: -74.553
flat angles C4'-P-C4' energy: -92.447
flat angles P-C4'-P energy: -66.156
tors. eta vs tors. theta energy: -132.624
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: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1341.209285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.209285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.209285 (E_RNA)
where:
Base-Base interactions energy: -909.197
where: short stacking energy: -424.889
Base-Backbone interact. energy: -2.662
local terms energy: -429.349811
where:
bonds (distance) C4'-P energy: -83.401
bonds (distance) P-C4' energy: -83.927
flat angles C4'-P-C4' energy: -94.327
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -110.354
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: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1156.477309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.477309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.477309 (E_RNA)
where:
Base-Base interactions energy: -754.258
where: short stacking energy: -346.422
Base-Backbone interact. energy: -2.212
local terms energy: -400.007281
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -72.098
flat angles C4'-P-C4' energy: -98.020
flat angles P-C4'-P energy: -58.033
tors. eta vs tors. theta energy: -86.848
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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -999.371634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.371634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.371634 (E_RNA)
where:
Base-Base interactions energy: -645.371
where: short stacking energy: -294.688
Base-Backbone interact. energy: -1.840
local terms energy: -352.160366
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -81.761
flat angles C4'-P-C4' energy: -82.003
flat angles P-C4'-P energy: -48.642
tors. eta vs tors. theta energy: -71.119
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: 438
Temperature: 1.300000
Total energy: -758.710369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.710369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.710369 (E_RNA)
where:
Base-Base interactions energy: -399.585
where: short stacking energy: -214.731
Base-Backbone interact. energy: -3.254
local terms energy: -355.871268
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -95.016
flat angles C4'-P-C4' energy: -85.359
flat angles P-C4'-P energy: -58.649
tors. eta vs tors. theta energy: -40.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -684.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.290401 (E_RNA)
where:
Base-Base interactions energy: -415.372
where: short stacking energy: -193.336
Base-Backbone interact. energy: 1.909
local terms energy: -270.827493
where:
bonds (distance) C4'-P energy: -75.853
bonds (distance) P-C4' energy: -69.952
flat angles C4'-P-C4' energy: -67.587
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -17.994
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1678.739204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.739204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.739204 (E_RNA)
where:
Base-Base interactions energy: -1185.902
where: short stacking energy: -499.854
Base-Backbone interact. energy: -0.553
local terms energy: -492.283595
where:
bonds (distance) C4'-P energy: -85.310
bonds (distance) P-C4' energy: -92.850
flat angles C4'-P-C4' energy: -99.562
flat angles P-C4'-P energy: -70.559
tors. eta vs tors. theta energy: -144.003
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: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1536.366677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.366677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.366677 (E_RNA)
where:
Base-Base interactions energy: -1070.301
where: short stacking energy: -467.692
Base-Backbone interact. energy: 1.135
local terms energy: -467.201024
where:
bonds (distance) C4'-P energy: -79.636
bonds (distance) P-C4' energy: -90.268
flat angles C4'-P-C4' energy: -102.657
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -131.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1488.883470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.883470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.883470 (E_RNA)
where:
Base-Base interactions energy: -1035.819
where: short stacking energy: -453.391
Base-Backbone interact. energy: -1.699
local terms energy: -451.365459
where:
bonds (distance) C4'-P energy: -80.169
bonds (distance) P-C4' energy: -87.342
flat angles C4'-P-C4' energy: -102.571
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -116.470
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1485.448797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.448797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.448797 (E_RNA)
where:
Base-Base interactions energy: -1013.688
where: short stacking energy: -422.224
Base-Backbone interact. energy: -1.916
local terms energy: -469.844651
where:
bonds (distance) C4'-P energy: -91.613
bonds (distance) P-C4' energy: -95.282
flat angles C4'-P-C4' energy: -97.823
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -108.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1377.471291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.471291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.471291 (E_RNA)
where:
Base-Base interactions energy: -933.990
where: short stacking energy: -435.416
Base-Backbone interact. energy: 1.086
local terms energy: -444.567524
where:
bonds (distance) C4'-P energy: -76.981
bonds (distance) P-C4' energy: -78.514
flat angles C4'-P-C4' energy: -97.778
flat angles P-C4'-P energy: -62.477
tors. eta vs tors. theta energy: -128.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1314.005767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.005767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.005767 (E_RNA)
where:
Base-Base interactions energy: -937.319
where: short stacking energy: -392.844
Base-Backbone interact. energy: -1.271
local terms energy: -375.415847
where:
bonds (distance) C4'-P energy: -62.217
bonds (distance) P-C4' energy: -65.456
flat angles C4'-P-C4' energy: -82.881
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -106.561
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: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1169.704588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.704588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.704588 (E_RNA)
where:
Base-Base interactions energy: -798.685
where: short stacking energy: -362.647
Base-Backbone interact. energy: -0.842
local terms energy: -370.177993
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -84.212
flat angles P-C4'-P energy: -53.670
tors. eta vs tors. theta energy: -77.091
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: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -988.918670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.918670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.918670 (E_RNA)
where:
Base-Base interactions energy: -624.385
where: short stacking energy: -296.958
Base-Backbone interact. energy: -1.438
local terms energy: -363.095550
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -82.675
flat angles P-C4'-P energy: -63.115
tors. eta vs tors. theta energy: -76.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -769.616392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.616392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.616392 (E_RNA)
where:
Base-Base interactions energy: -447.324
where: short stacking energy: -226.823
Base-Backbone interact. energy: -2.101
local terms energy: -320.191941
where:
bonds (distance) C4'-P energy: -88.280
bonds (distance) P-C4' energy: -67.502
flat angles C4'-P-C4' energy: -76.653
flat angles P-C4'-P energy: -53.488
tors. eta vs tors. theta energy: -34.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -699.162942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.162942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.162942 (E_RNA)
where:
Base-Base interactions energy: -424.517
where: short stacking energy: -191.603
Base-Backbone interact. energy: 2.926
local terms energy: -277.571696
where:
bonds (distance) C4'-P energy: -61.165
bonds (distance) P-C4' energy: -83.749
flat angles C4'-P-C4' energy: -61.072
flat angles P-C4'-P energy: -50.162
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1701.830034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.830034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.830034 (E_RNA)
where:
Base-Base interactions energy: -1202.321
where: short stacking energy: -521.643
Base-Backbone interact. energy: -2.598
local terms energy: -496.910925
where:
bonds (distance) C4'-P energy: -85.202
bonds (distance) P-C4' energy: -90.966
flat angles C4'-P-C4' energy: -106.092
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -142.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1540.168231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.168231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.168231 (E_RNA)
where:
Base-Base interactions energy: -1056.829
where: short stacking energy: -473.631
Base-Backbone interact. energy: -4.024
local terms energy: -479.314974
where:
bonds (distance) C4'-P energy: -83.381
bonds (distance) P-C4' energy: -93.020
flat angles C4'-P-C4' energy: -96.363
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -134.222
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: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1528.887121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.887121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.887121 (E_RNA)
where:
Base-Base interactions energy: -1066.400
where: short stacking energy: -441.235
Base-Backbone interact. energy: -3.493
local terms energy: -458.993681
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -98.502
flat angles C4'-P-C4' energy: -96.074
flat angles P-C4'-P energy: -71.767
tors. eta vs tors. theta energy: -113.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1421.385779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.385779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.385779 (E_RNA)
where:
Base-Base interactions energy: -968.987
where: short stacking energy: -423.216
Base-Backbone interact. energy: -3.142
local terms energy: -449.256746
where:
bonds (distance) C4'-P energy: -94.926
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -100.847
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -129.664
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: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1378.416538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.416538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.416538 (E_RNA)
where:
Base-Base interactions energy: -945.974
where: short stacking energy: -430.271
Base-Backbone interact. energy: 1.247
local terms energy: -433.689831
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -90.990
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -129.097
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: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1316.159542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.159542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.159542 (E_RNA)
where:
Base-Base interactions energy: -898.800
where: short stacking energy: -392.838
Base-Backbone interact. energy: -1.023
local terms energy: -416.336873
where:
bonds (distance) C4'-P energy: -81.524
bonds (distance) P-C4' energy: -69.801
flat angles C4'-P-C4' energy: -96.173
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -103.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1174.727131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.727131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.727131 (E_RNA)
where:
Base-Base interactions energy: -808.676
where: short stacking energy: -336.946
Base-Backbone interact. energy: 2.560
local terms energy: -368.610561
where:
bonds (distance) C4'-P energy: -75.120
bonds (distance) P-C4' energy: -74.816
flat angles C4'-P-C4' energy: -85.211
flat angles P-C4'-P energy: -58.233
tors. eta vs tors. theta energy: -75.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1013.226420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.226420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.226420 (E_RNA)
where:
Base-Base interactions energy: -674.289
where: short stacking energy: -304.719
Base-Backbone interact. energy: 1.911
local terms energy: -340.848531
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -78.431
flat angles P-C4'-P energy: -49.611
tors. eta vs tors. theta energy: -70.685
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: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -754.631095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.631095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.631095 (E_RNA)
where:
Base-Base interactions energy: -470.294
where: short stacking energy: -238.886
Base-Backbone interact. energy: 6.038
local terms energy: -290.375333
where:
bonds (distance) C4'-P energy: -77.019
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -28.881
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: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -744.575990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.575990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.575990 (E_RNA)
where:
Base-Base interactions energy: -425.066
where: short stacking energy: -218.664
Base-Backbone interact. energy: -1.130
local terms energy: -318.379704
where:
bonds (distance) C4'-P energy: -86.269
bonds (distance) P-C4' energy: -84.375
flat angles C4'-P-C4' energy: -72.471
flat angles P-C4'-P energy: -34.084
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1673.272465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.272465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.272465 (E_RNA)
where:
Base-Base interactions energy: -1177.505
where: short stacking energy: -491.017
Base-Backbone interact. energy: 1.462
local terms energy: -497.230118
where:
bonds (distance) C4'-P energy: -87.776
bonds (distance) P-C4' energy: -84.514
flat angles C4'-P-C4' energy: -106.845
flat angles P-C4'-P energy: -75.662
tors. eta vs tors. theta energy: -142.434
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: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1543.343058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.343058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.343058 (E_RNA)
where:
Base-Base interactions energy: -1084.692
where: short stacking energy: -463.066
Base-Backbone interact. energy: 7.396
local terms energy: -466.046740
where:
bonds (distance) C4'-P energy: -88.539
bonds (distance) P-C4' energy: -86.873
flat angles C4'-P-C4' energy: -97.763
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: -124.952
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1512.750935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.750935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.750935 (E_RNA)
where:
Base-Base interactions energy: -1056.968
where: short stacking energy: -456.658
Base-Backbone interact. energy: -4.229
local terms energy: -451.553860
where:
bonds (distance) C4'-P energy: -80.138
bonds (distance) P-C4' energy: -84.250
flat angles C4'-P-C4' energy: -89.674
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -131.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1393.273583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.273583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.273583 (E_RNA)
where:
Base-Base interactions energy: -937.830
where: short stacking energy: -438.759
Base-Backbone interact. energy: 0.175
local terms energy: -455.618820
where:
bonds (distance) C4'-P energy: -85.449
bonds (distance) P-C4' energy: -82.906
flat angles C4'-P-C4' energy: -97.397
flat angles P-C4'-P energy: -62.255
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: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1406.288269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.288269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.288269 (E_RNA)
where:
Base-Base interactions energy: -952.230
where: short stacking energy: -441.863
Base-Backbone interact. energy: -2.015
local terms energy: -452.042847
where:
bonds (distance) C4'-P energy: -85.786
bonds (distance) P-C4' energy: -89.860
flat angles C4'-P-C4' energy: -90.994
flat angles P-C4'-P energy: -62.049
tors. eta vs tors. theta energy: -123.354
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: 441
Temperature: 1.150000
Total energy: -1343.122819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.122819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.122819 (E_RNA)
where:
Base-Base interactions energy: -925.883
where: short stacking energy: -413.923
Base-Backbone interact. energy: 0.169
local terms energy: -417.408842
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -81.801
flat angles C4'-P-C4' energy: -88.187
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -117.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1126.662048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.662048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.662048 (E_RNA)
where:
Base-Base interactions energy: -753.865
where: short stacking energy: -315.123
Base-Backbone interact. energy: -0.995
local terms energy: -371.802068
where:
bonds (distance) C4'-P energy: -78.649
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -86.808
flat angles P-C4'-P energy: -53.679
tors. eta vs tors. theta energy: -75.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1002.148711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.148711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.148711 (E_RNA)
where:
Base-Base interactions energy: -652.625
where: short stacking energy: -303.348
Base-Backbone interact. energy: -1.706
local terms energy: -347.817618
where:
bonds (distance) C4'-P energy: -74.487
bonds (distance) P-C4' energy: -77.324
flat angles C4'-P-C4' energy: -84.934
flat angles P-C4'-P energy: -47.602
tors. eta vs tors. theta energy: -63.471
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: 441
Temperature: 1.300000
Total energy: -806.496949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.496949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.496949 (E_RNA)
where:
Base-Base interactions energy: -484.647
where: short stacking energy: -247.433
Base-Backbone interact. energy: 5.323
local terms energy: -327.172575
where:
bonds (distance) C4'-P energy: -70.049
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -56.760
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: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -684.760290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.760290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.760290 (E_RNA)
where:
Base-Base interactions energy: -410.389
where: short stacking energy: -184.751
Base-Backbone interact. energy: 0.115
local terms energy: -274.486725
where:
bonds (distance) C4'-P energy: -70.256
bonds (distance) P-C4' energy: -79.194
flat angles C4'-P-C4' energy: -67.224
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -20.272
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: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1688.884403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.884403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.884403 (E_RNA)
where:
Base-Base interactions energy: -1176.567
where: short stacking energy: -502.443
Base-Backbone interact. energy: -4.210
local terms energy: -508.107742
where:
bonds (distance) C4'-P energy: -84.977
bonds (distance) P-C4' energy: -91.422
flat angles C4'-P-C4' energy: -112.433
flat angles P-C4'-P energy: -78.483
tors. eta vs tors. theta energy: -140.793
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1549.485992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.485992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.485992 (E_RNA)
where:
Base-Base interactions energy: -1072.043
where: short stacking energy: -443.502
Base-Backbone interact. energy: 0.794
local terms energy: -478.237235
where:
bonds (distance) C4'-P energy: -95.919
bonds (distance) P-C4' energy: -94.340
flat angles C4'-P-C4' energy: -101.753
flat angles P-C4'-P energy: -66.533
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: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1500.148623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.148623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.148623 (E_RNA)
where:
Base-Base interactions energy: -1042.070
where: short stacking energy: -458.920
Base-Backbone interact. energy: -2.118
local terms energy: -455.961161
where:
bonds (distance) C4'-P energy: -74.587
bonds (distance) P-C4' energy: -86.065
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -132.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1406.064792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.064792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.064792 (E_RNA)
where:
Base-Base interactions energy: -958.163
where: short stacking energy: -413.664
Base-Backbone interact. energy: -3.222
local terms energy: -444.679149
where:
bonds (distance) C4'-P energy: -89.073
bonds (distance) P-C4' energy: -82.365
flat angles C4'-P-C4' energy: -99.689
flat angles P-C4'-P energy: -61.141
tors. eta vs tors. theta energy: -112.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1413.313863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.313863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.313863 (E_RNA)
where:
Base-Base interactions energy: -960.506
where: short stacking energy: -431.044
Base-Backbone interact. energy: -1.611
local terms energy: -451.196750
where:
bonds (distance) C4'-P energy: -88.371
bonds (distance) P-C4' energy: -87.031
flat angles C4'-P-C4' energy: -91.890
flat angles P-C4'-P energy: -56.330
tors. eta vs tors. theta energy: -127.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1308.158945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.158945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.158945 (E_RNA)
where:
Base-Base interactions energy: -892.857
where: short stacking energy: -402.643
Base-Backbone interact. energy: -1.839
local terms energy: -413.463835
where:
bonds (distance) C4'-P energy: -73.553
bonds (distance) P-C4' energy: -73.658
flat angles C4'-P-C4' energy: -94.850
flat angles P-C4'-P energy: -55.796
tors. eta vs tors. theta energy: -115.608
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: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1135.858239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.858239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.858239 (E_RNA)
where:
Base-Base interactions energy: -790.263
where: short stacking energy: -350.491
Base-Backbone interact. energy: -1.054
local terms energy: -344.541857
where:
bonds (distance) C4'-P energy: -66.261
bonds (distance) P-C4' energy: -65.587
flat angles C4'-P-C4' energy: -73.934
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -81.813
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -950.407906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.407906 (E_RNA)
where:
Base-Base interactions energy: -605.065
where: short stacking energy: -265.967
Base-Backbone interact. energy: -1.454
local terms energy: -343.888466
where:
bonds (distance) C4'-P energy: -81.981
bonds (distance) P-C4' energy: -80.701
flat angles C4'-P-C4' energy: -72.947
flat angles P-C4'-P energy: -46.710
tors. eta vs tors. theta energy: -61.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -756.516441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.516441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.516441 (E_RNA)
where:
Base-Base interactions energy: -450.225
where: short stacking energy: -232.978
Base-Backbone interact. energy: 0.502
local terms energy: -306.792867
where:
bonds (distance) C4'-P energy: -76.966
bonds (distance) P-C4' energy: -77.979
flat angles C4'-P-C4' energy: -70.565
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -33.478
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: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -706.506385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.506385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.506385 (E_RNA)
where:
Base-Base interactions energy: -420.089
where: short stacking energy: -212.438
Base-Backbone interact. energy: 5.392
local terms energy: -291.809873
where:
bonds (distance) C4'-P energy: -73.420
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -75.342
flat angles P-C4'-P energy: -51.202
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1703.454607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.454607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.454607 (E_RNA)
where:
Base-Base interactions energy: -1205.945
where: short stacking energy: -500.782
Base-Backbone interact. energy: -0.722
local terms energy: -496.787915
where:
bonds (distance) C4'-P energy: -89.793
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -102.628
flat angles P-C4'-P energy: -72.438
tors. eta vs tors. theta energy: -134.664
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1529.140749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.140749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.140749 (E_RNA)
where:
Base-Base interactions energy: -1043.171
where: short stacking energy: -453.891
Base-Backbone interact. energy: -3.198
local terms energy: -482.771555
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -85.807
flat angles C4'-P-C4' energy: -111.964
flat angles P-C4'-P energy: -69.724
tors. eta vs tors. theta energy: -124.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1523.641114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.641114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.641114 (E_RNA)
where:
Base-Base interactions energy: -1051.433
where: short stacking energy: -446.682
Base-Backbone interact. energy: -1.846
local terms energy: -470.362069
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -88.016
flat angles C4'-P-C4' energy: -100.105
flat angles P-C4'-P energy: -69.478
tors. eta vs tors. theta energy: -123.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1456.508330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.508330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.508330 (E_RNA)
where:
Base-Base interactions energy: -1008.381
where: short stacking energy: -460.511
Base-Backbone interact. energy: 0.082
local terms energy: -448.208786
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -90.390
flat angles P-C4'-P energy: -61.765
tors. eta vs tors. theta energy: -137.493
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: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1385.100043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.100043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.100043 (E_RNA)
where:
Base-Base interactions energy: -931.740
where: short stacking energy: -428.144
Base-Backbone interact. energy: -1.899
local terms energy: -451.460891
where:
bonds (distance) C4'-P energy: -82.563
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -118.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1333.994550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.994550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.994550 (E_RNA)
where:
Base-Base interactions energy: -931.306
where: short stacking energy: -439.551
Base-Backbone interact. energy: 1.720
local terms energy: -404.408369
where:
bonds (distance) C4'-P energy: -76.796
bonds (distance) P-C4' energy: -62.093
flat angles C4'-P-C4' energy: -97.379
flat angles P-C4'-P energy: -53.364
tors. eta vs tors. theta energy: -114.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1124.938528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.938528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.938528 (E_RNA)
where:
Base-Base interactions energy: -758.772
where: short stacking energy: -329.026
Base-Backbone interact. energy: 0.701
local terms energy: -366.867434
where:
bonds (distance) C4'-P energy: -71.070
bonds (distance) P-C4' energy: -80.733
flat angles C4'-P-C4' energy: -83.798
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -74.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1017.482727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.482727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.482727 (E_RNA)
where:
Base-Base interactions energy: -644.712
where: short stacking energy: -300.860
Base-Backbone interact. energy: 3.962
local terms energy: -376.733057
where:
bonds (distance) C4'-P energy: -75.787
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -97.038
flat angles P-C4'-P energy: -46.523
tors. eta vs tors. theta energy: -75.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -748.252325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.252325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.252325 (E_RNA)
where:
Base-Base interactions energy: -466.698
where: short stacking energy: -231.982
Base-Backbone interact. energy: 3.201
local terms energy: -284.755510
where:
bonds (distance) C4'-P energy: -76.428
bonds (distance) P-C4' energy: -76.992
flat angles C4'-P-C4' energy: -66.468
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -25.878
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: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -700.557175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.557175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.557175 (E_RNA)
where:
Base-Base interactions energy: -425.284
where: short stacking energy: -183.338
Base-Backbone interact. energy: -1.141
local terms energy: -274.131876
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -84.290
flat angles C4'-P-C4' energy: -73.956
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1686.532586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.532586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.532586 (E_RNA)
where:
Base-Base interactions energy: -1172.309
where: short stacking energy: -502.002
Base-Backbone interact. energy: -1.712
local terms energy: -512.511824
where:
bonds (distance) C4'-P energy: -90.106
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -69.299
tors. eta vs tors. theta energy: -138.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1531.627756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.627756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.627756 (E_RNA)
where:
Base-Base interactions energy: -1057.386
where: short stacking energy: -469.990
Base-Backbone interact. energy: -1.983
local terms energy: -472.258533
where:
bonds (distance) C4'-P energy: -90.831
bonds (distance) P-C4' energy: -96.389
flat angles C4'-P-C4' energy: -96.924
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: -124.473
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1519.780108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.780108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.780108 (E_RNA)
where:
Base-Base interactions energy: -1050.258
where: short stacking energy: -443.988
Base-Backbone interact. energy: -0.357
local terms energy: -469.165059
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -93.212
flat angles C4'-P-C4' energy: -107.741
flat angles P-C4'-P energy: -67.596
tors. eta vs tors. theta energy: -121.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1423.743078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.743078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.743078 (E_RNA)
where:
Base-Base interactions energy: -973.291
where: short stacking energy: -472.722
Base-Backbone interact. energy: -1.219
local terms energy: -449.233106
where:
bonds (distance) C4'-P energy: -85.275
bonds (distance) P-C4' energy: -72.529
flat angles C4'-P-C4' energy: -99.499
flat angles P-C4'-P energy: -59.422
tors. eta vs tors. theta energy: -132.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1409.910897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.910897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.910897 (E_RNA)
where:
Base-Base interactions energy: -987.412
where: short stacking energy: -443.222
Base-Backbone interact. energy: 0.881
local terms energy: -423.379534
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -79.809
flat angles C4'-P-C4' energy: -94.558
flat angles P-C4'-P energy: -58.213
tors. eta vs tors. theta energy: -125.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1368.643382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.643382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.643382 (E_RNA)
where:
Base-Base interactions energy: -931.808
where: short stacking energy: -412.003
Base-Backbone interact. energy: 0.608
local terms energy: -437.443213
where:
bonds (distance) C4'-P energy: -88.344
bonds (distance) P-C4' energy: -81.323
flat angles C4'-P-C4' energy: -97.685
flat angles P-C4'-P energy: -56.937
tors. eta vs tors. theta energy: -113.155
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: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1114.611112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.611112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.611112 (E_RNA)
where:
Base-Base interactions energy: -766.289
where: short stacking energy: -326.947
Base-Backbone interact. energy: -1.775
local terms energy: -346.547323
where:
bonds (distance) C4'-P energy: -76.424
bonds (distance) P-C4' energy: -69.168
flat angles C4'-P-C4' energy: -77.792
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: -65.112
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: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -999.213918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.213918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.213918 (E_RNA)
where:
Base-Base interactions energy: -645.842
where: short stacking energy: -311.126
Base-Backbone interact. energy: -0.755
local terms energy: -352.616829
where:
bonds (distance) C4'-P energy: -81.341
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -76.285
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -64.357
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: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -735.981335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.981335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.981335 (E_RNA)
where:
Base-Base interactions energy: -457.358
where: short stacking energy: -228.623
Base-Backbone interact. energy: 0.238
local terms energy: -278.861850
where:
bonds (distance) C4'-P energy: -67.017
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -40.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -723.034528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.034528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.034528 (E_RNA)
where:
Base-Base interactions energy: -432.138
where: short stacking energy: -204.824
Base-Backbone interact. energy: -0.055
local terms energy: -290.841583
where:
bonds (distance) C4'-P energy: -74.518
bonds (distance) P-C4' energy: -70.587
flat angles C4'-P-C4' energy: -76.136
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -36.577
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: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1704.208457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.208457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.208457 (E_RNA)
where:
Base-Base interactions energy: -1191.563
where: short stacking energy: -519.400
Base-Backbone interact. energy: -6.463
local terms energy: -506.182334
where:
bonds (distance) C4'-P energy: -81.858
bonds (distance) P-C4' energy: -106.318
flat angles C4'-P-C4' energy: -103.601
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -139.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1535.113854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.113854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.113854 (E_RNA)
where:
Base-Base interactions energy: -1060.796
where: short stacking energy: -470.253
Base-Backbone interact. energy: -0.775
local terms energy: -473.542825
where:
bonds (distance) C4'-P energy: -92.713
bonds (distance) P-C4' energy: -77.378
flat angles C4'-P-C4' energy: -108.170
flat angles P-C4'-P energy: -70.693
tors. eta vs tors. theta energy: -124.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1532.815253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.815253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.815253 (E_RNA)
where:
Base-Base interactions energy: -1052.322
where: short stacking energy: -452.099
Base-Backbone interact. energy: -1.175
local terms energy: -479.318813
where:
bonds (distance) C4'-P energy: -83.517
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -105.727
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -129.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1402.871032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.871032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.871032 (E_RNA)
where:
Base-Base interactions energy: -947.039
where: short stacking energy: -445.480
Base-Backbone interact. energy: 1.726
local terms energy: -457.558032
where:
bonds (distance) C4'-P energy: -85.105
bonds (distance) P-C4' energy: -87.060
flat angles C4'-P-C4' energy: -100.086
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: -129.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1387.066182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.066182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.066182 (E_RNA)
where:
Base-Base interactions energy: -939.798
where: short stacking energy: -432.911
Base-Backbone interact. energy: -0.290
local terms energy: -446.978826
where:
bonds (distance) C4'-P energy: -79.061
bonds (distance) P-C4' energy: -77.523
flat angles C4'-P-C4' energy: -94.534
flat angles P-C4'-P energy: -65.920
tors. eta vs tors. theta energy: -129.941
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1312.105407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.105407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.105407 (E_RNA)
where:
Base-Base interactions energy: -899.081
where: short stacking energy: -405.671
Base-Backbone interact. energy: -1.916
local terms energy: -411.108155
where:
bonds (distance) C4'-P energy: -80.868
bonds (distance) P-C4' energy: -81.184
flat angles C4'-P-C4' energy: -85.482
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -111.313
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: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1206.213124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.213124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.213124 (E_RNA)
where:
Base-Base interactions energy: -853.987
where: short stacking energy: -365.429
Base-Backbone interact. energy: -2.153
local terms energy: -350.072821
where:
bonds (distance) C4'-P energy: -64.185
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -86.470
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -92.966
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: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1008.765868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.765868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.765868 (E_RNA)
where:
Base-Base interactions energy: -668.909
where: short stacking energy: -318.304
Base-Backbone interact. energy: 3.709
local terms energy: -343.565733
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -87.681
flat angles C4'-P-C4' energy: -60.224
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -79.466
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -711.356659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.356659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.356659 (E_RNA)
where:
Base-Base interactions energy: -424.720
where: short stacking energy: -236.031
Base-Backbone interact. energy: 0.449
local terms energy: -287.085699
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -39.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -664.326143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.326143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.326143 (E_RNA)
where:
Base-Base interactions energy: -384.861
where: short stacking energy: -203.418
Base-Backbone interact. energy: -1.528
local terms energy: -277.937644
where:
bonds (distance) C4'-P energy: -68.869
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -23.633
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1704.375096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.375096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.375096 (E_RNA)
where:
Base-Base interactions energy: -1196.382
where: short stacking energy: -523.593
Base-Backbone interact. energy: -5.176
local terms energy: -502.817145
where:
bonds (distance) C4'-P energy: -80.876
bonds (distance) P-C4' energy: -94.881
flat angles C4'-P-C4' energy: -105.511
flat angles P-C4'-P energy: -74.181
tors. eta vs tors. theta energy: -147.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1523.338524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.338524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.338524 (E_RNA)
where:
Base-Base interactions energy: -1038.891
where: short stacking energy: -463.746
Base-Backbone interact. energy: -1.651
local terms energy: -482.797014
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -98.163
flat angles P-C4'-P energy: -71.969
tors. eta vs tors. theta energy: -132.607
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: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1518.984241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.984241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.984241 (E_RNA)
where:
Base-Base interactions energy: -1060.692
where: short stacking energy: -434.179
Base-Backbone interact. energy: -1.809
local terms energy: -456.483151
where:
bonds (distance) C4'-P energy: -87.083
bonds (distance) P-C4' energy: -82.653
flat angles C4'-P-C4' energy: -103.328
flat angles P-C4'-P energy: -64.295
tors. eta vs tors. theta energy: -119.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1450.850149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.850149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.850149 (E_RNA)
where:
Base-Base interactions energy: -990.830
where: short stacking energy: -470.530
Base-Backbone interact. energy: -2.041
local terms energy: -457.979270
where:
bonds (distance) C4'-P energy: -77.910
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -94.207
flat angles P-C4'-P energy: -73.441
tors. eta vs tors. theta energy: -133.556
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1370.040579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.040579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.040579 (E_RNA)
where:
Base-Base interactions energy: -928.032
where: short stacking energy: -404.860
Base-Backbone interact. energy: -0.269
local terms energy: -441.739484
where:
bonds (distance) C4'-P energy: -75.107
bonds (distance) P-C4' energy: -91.904
flat angles C4'-P-C4' energy: -93.005
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -116.954
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: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1321.126375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.126375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.126375 (E_RNA)
where:
Base-Base interactions energy: -903.004
where: short stacking energy: -410.035
Base-Backbone interact. energy: 0.650
local terms energy: -418.771556
where:
bonds (distance) C4'-P energy: -80.890
bonds (distance) P-C4' energy: -70.708
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -63.840
tors. eta vs tors. theta energy: -117.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1189.117207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.117207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.117207 (E_RNA)
where:
Base-Base interactions energy: -792.149
where: short stacking energy: -339.599
Base-Backbone interact. energy: -2.516
local terms energy: -394.452052
where:
bonds (distance) C4'-P energy: -76.317
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -83.017
flat angles P-C4'-P energy: -55.847
tors. eta vs tors. theta energy: -88.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1030.172480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.172480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.172480 (E_RNA)
where:
Base-Base interactions energy: -682.885
where: short stacking energy: -313.007
Base-Backbone interact. energy: -0.828
local terms energy: -346.459829
where:
bonds (distance) C4'-P energy: -63.136
bonds (distance) P-C4' energy: -79.005
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -68.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -801.314568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.314568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.314568 (E_RNA)
where:
Base-Base interactions energy: -495.272
where: short stacking energy: -246.367
Base-Backbone interact. energy: -2.067
local terms energy: -303.975920
where:
bonds (distance) C4'-P energy: -84.456
bonds (distance) P-C4' energy: -78.708
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -691.026412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.026412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.026412 (E_RNA)
where:
Base-Base interactions energy: -396.220
where: short stacking energy: -190.601
Base-Backbone interact. energy: 5.976
local terms energy: -300.781622
where:
bonds (distance) C4'-P energy: -65.336
bonds (distance) P-C4' energy: -77.013
flat angles C4'-P-C4' energy: -88.155
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1710.964333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.964333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.964333 (E_RNA)
where:
Base-Base interactions energy: -1204.238
where: short stacking energy: -537.807
Base-Backbone interact. energy: 0.353
local terms energy: -507.079439
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -94.459
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -151.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1528.942157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.942157 (E_RNA)
where:
Base-Base interactions energy: -1042.901
where: short stacking energy: -461.358
Base-Backbone interact. energy: -0.817
local terms energy: -485.223933
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -93.779
flat angles C4'-P-C4' energy: -107.935
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: -125.026
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1525.271350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.271350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.271350 (E_RNA)
where:
Base-Base interactions energy: -1053.798
where: short stacking energy: -454.352
Base-Backbone interact. energy: -0.922
local terms energy: -470.550947
where:
bonds (distance) C4'-P energy: -88.256
bonds (distance) P-C4' energy: -88.470
flat angles C4'-P-C4' energy: -96.558
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -126.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1414.877605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.877605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.877605 (E_RNA)
where:
Base-Base interactions energy: -960.483
where: short stacking energy: -447.494
Base-Backbone interact. energy: -1.807
local terms energy: -452.587745
where:
bonds (distance) C4'-P energy: -82.209
bonds (distance) P-C4' energy: -84.500
flat angles C4'-P-C4' energy: -97.464
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -131.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1398.476410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.476410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.476410 (E_RNA)
where:
Base-Base interactions energy: -973.544
where: short stacking energy: -422.182
Base-Backbone interact. energy: -0.727
local terms energy: -424.205375
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -74.097
flat angles C4'-P-C4' energy: -102.727
flat angles P-C4'-P energy: -58.616
tors. eta vs tors. theta energy: -116.813
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1289.333165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.333165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.333165 (E_RNA)
where:
Base-Base interactions energy: -862.794
where: short stacking energy: -410.330
Base-Backbone interact. energy: 1.359
local terms energy: -427.898335
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -93.722
flat angles P-C4'-P energy: -57.495
tors. eta vs tors. theta energy: -115.348
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1185.447322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.447322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.447322 (E_RNA)
where:
Base-Base interactions energy: -812.410
where: short stacking energy: -338.643
Base-Backbone interact. energy: -3.221
local terms energy: -369.816398
where:
bonds (distance) C4'-P energy: -71.778
bonds (distance) P-C4' energy: -76.291
flat angles C4'-P-C4' energy: -91.704
flat angles P-C4'-P energy: -59.614
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: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -988.440634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.440634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.440634 (E_RNA)
where:
Base-Base interactions energy: -617.815
where: short stacking energy: -309.353
Base-Backbone interact. energy: 1.873
local terms energy: -372.498621
where:
bonds (distance) C4'-P energy: -86.812
bonds (distance) P-C4' energy: -74.286
flat angles C4'-P-C4' energy: -83.967
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: -68.693
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: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -857.700495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.700495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.700495 (E_RNA)
where:
Base-Base interactions energy: -525.963
where: short stacking energy: -274.320
Base-Backbone interact. energy: -2.316
local terms energy: -329.421209
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -77.346
flat angles C4'-P-C4' energy: -86.740
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -653.152561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.152561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.152561 (E_RNA)
where:
Base-Base interactions energy: -379.300
where: short stacking energy: -201.515
Base-Backbone interact. energy: -0.975
local terms energy: -272.877664
where:
bonds (distance) C4'-P energy: -78.255
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -76.474
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1695.550223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.550223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.550223 (E_RNA)
where:
Base-Base interactions energy: -1188.135
where: short stacking energy: -528.168
Base-Backbone interact. energy: -2.029
local terms energy: -505.385934
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -91.733
flat angles C4'-P-C4' energy: -105.815
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -142.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1552.881669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.881669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.881669 (E_RNA)
where:
Base-Base interactions energy: -1074.234
where: short stacking energy: -451.909
Base-Backbone interact. energy: -4.460
local terms energy: -474.187498
where:
bonds (distance) C4'-P energy: -80.084
bonds (distance) P-C4' energy: -93.839
flat angles C4'-P-C4' energy: -104.115
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -124.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1527.967123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.967123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.967123 (E_RNA)
where:
Base-Base interactions energy: -1077.008
where: short stacking energy: -453.583
Base-Backbone interact. energy: -4.072
local terms energy: -446.886710
where:
bonds (distance) C4'-P energy: -77.498
bonds (distance) P-C4' energy: -87.372
flat angles C4'-P-C4' energy: -105.969
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -119.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1441.505673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.505673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.505673 (E_RNA)
where:
Base-Base interactions energy: -969.158
where: short stacking energy: -448.433
Base-Backbone interact. energy: -2.299
local terms energy: -470.048622
where:
bonds (distance) C4'-P energy: -90.257
bonds (distance) P-C4' energy: -86.144
flat angles C4'-P-C4' energy: -97.812
flat angles P-C4'-P energy: -66.594
tors. eta vs tors. theta energy: -129.241
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: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1408.145607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.145607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.145607 (E_RNA)
where:
Base-Base interactions energy: -964.494
where: short stacking energy: -411.924
Base-Backbone interact. energy: -0.496
local terms energy: -443.155194
where:
bonds (distance) C4'-P energy: -68.840
bonds (distance) P-C4' energy: -93.327
flat angles C4'-P-C4' energy: -99.302
flat angles P-C4'-P energy: -65.931
tors. eta vs tors. theta energy: -115.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1242.500276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.500276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.500276 (E_RNA)
where:
Base-Base interactions energy: -861.895
where: short stacking energy: -385.727
Base-Backbone interact. energy: -0.862
local terms energy: -379.743924
where:
bonds (distance) C4'-P energy: -70.531
bonds (distance) P-C4' energy: -77.632
flat angles C4'-P-C4' energy: -95.347
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -93.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1177.194858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.194858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.194858 (E_RNA)
where:
Base-Base interactions energy: -800.641
where: short stacking energy: -348.152
Base-Backbone interact. energy: 1.911
local terms energy: -378.465149
where:
bonds (distance) C4'-P energy: -86.811
bonds (distance) P-C4' energy: -77.674
flat angles C4'-P-C4' energy: -76.841
flat angles P-C4'-P energy: -58.998
tors. eta vs tors. theta energy: -78.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -944.471654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.471654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.471654 (E_RNA)
where:
Base-Base interactions energy: -610.579
where: short stacking energy: -267.807
Base-Backbone interact. energy: -1.854
local terms energy: -332.038152
where:
bonds (distance) C4'-P energy: -81.345
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -66.828
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: -49.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -761.606151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.606151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.606151 (E_RNA)
where:
Base-Base interactions energy: -438.551
where: short stacking energy: -240.365
Base-Backbone interact. energy: 0.642
local terms energy: -323.697590
where:
bonds (distance) C4'-P energy: -74.990
bonds (distance) P-C4' energy: -75.680
flat angles C4'-P-C4' energy: -79.634
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -46.326
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -644.702347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.702347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.702347 (E_RNA)
where:
Base-Base interactions energy: -369.816
where: short stacking energy: -185.756
Base-Backbone interact. energy: 0.636
local terms energy: -275.522879
where:
bonds (distance) C4'-P energy: -81.024
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1691.202585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.202585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.202585 (E_RNA)
where:
Base-Base interactions energy: -1188.845
where: short stacking energy: -534.275
Base-Backbone interact. energy: -1.053
local terms energy: -501.304266
where:
bonds (distance) C4'-P energy: -82.484
bonds (distance) P-C4' energy: -91.929
flat angles C4'-P-C4' energy: -113.854
flat angles P-C4'-P energy: -73.038
tors. eta vs tors. theta energy: -140.000
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: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1548.258915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.258915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.258915 (E_RNA)
where:
Base-Base interactions energy: -1069.832
where: short stacking energy: -461.162
Base-Backbone interact. energy: -1.889
local terms energy: -476.537797
where:
bonds (distance) C4'-P energy: -88.993
bonds (distance) P-C4' energy: -88.238
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -72.318
tors. eta vs tors. theta energy: -128.838
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: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1536.269046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.269046 (E_RNA)
where:
Base-Base interactions energy: -1039.429
where: short stacking energy: -465.549
Base-Backbone interact. energy: -4.064
local terms energy: -492.776440
where:
bonds (distance) C4'-P energy: -91.177
bonds (distance) P-C4' energy: -96.023
flat angles C4'-P-C4' energy: -99.724
flat angles P-C4'-P energy: -65.251
tors. eta vs tors. theta energy: -140.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1407.720767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.720767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.720767 (E_RNA)
where:
Base-Base interactions energy: -992.383
where: short stacking energy: -436.358
Base-Backbone interact. energy: 1.686
local terms energy: -417.024178
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -72.450
flat angles C4'-P-C4' energy: -81.892
flat angles P-C4'-P energy: -54.563
tors. eta vs tors. theta energy: -124.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1387.374308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.374308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.374308 (E_RNA)
where:
Base-Base interactions energy: -947.545
where: short stacking energy: -410.428
Base-Backbone interact. energy: 0.223
local terms energy: -440.052875
where:
bonds (distance) C4'-P energy: -80.960
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -99.616
flat angles P-C4'-P energy: -72.156
tors. eta vs tors. theta energy: -117.542
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: 449
Temperature: 1.150000
Total energy: -1270.920982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.920982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.920982 (E_RNA)
where:
Base-Base interactions energy: -866.875
where: short stacking energy: -403.036
Base-Backbone interact. energy: 0.107
local terms energy: -404.152986
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -83.152
flat angles P-C4'-P energy: -60.857
tors. eta vs tors. theta energy: -101.790
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1169.948122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.948122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.948122 (E_RNA)
where:
Base-Base interactions energy: -809.729
where: short stacking energy: -356.740
Base-Backbone interact. energy: -3.077
local terms energy: -357.141784
where:
bonds (distance) C4'-P energy: -70.221
bonds (distance) P-C4' energy: -75.596
flat angles C4'-P-C4' energy: -90.455
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -70.403
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -968.549183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.549183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.549183 (E_RNA)
where:
Base-Base interactions energy: -604.131
where: short stacking energy: -256.083
Base-Backbone interact. energy: -2.618
local terms energy: -361.800924
where:
bonds (distance) C4'-P energy: -83.091
bonds (distance) P-C4' energy: -89.232
flat angles C4'-P-C4' energy: -78.422
flat angles P-C4'-P energy: -56.527
tors. eta vs tors. theta energy: -54.529
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: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -701.457389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.457389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.457389 (E_RNA)
where:
Base-Base interactions energy: -407.010
where: short stacking energy: -210.684
Base-Backbone interact. energy: -1.673
local terms energy: -292.775111
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -76.850
flat angles C4'-P-C4' energy: -76.182
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -33.245
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: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -655.717754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.717754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.717754 (E_RNA)
where:
Base-Base interactions energy: -395.310
where: short stacking energy: -208.416
Base-Backbone interact. energy: 0.383
local terms energy: -260.790901
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -83.823
flat angles P-C4'-P energy: -34.702
tors. eta vs tors. theta energy: -14.705
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: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1689.097916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.097916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.097916 (E_RNA)
where:
Base-Base interactions energy: -1150.905
where: short stacking energy: -521.339
Base-Backbone interact. energy: -4.755
local terms energy: -533.438541
where:
bonds (distance) C4'-P energy: -102.311
bonds (distance) P-C4' energy: -98.513
flat angles C4'-P-C4' energy: -111.178
flat angles P-C4'-P energy: -72.063
tors. eta vs tors. theta energy: -149.373
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: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1550.205571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.205571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.205571 (E_RNA)
where:
Base-Base interactions energy: -1095.207
where: short stacking energy: -458.175
Base-Backbone interact. energy: -0.978
local terms energy: -454.020280
where:
bonds (distance) C4'-P energy: -78.228
bonds (distance) P-C4' energy: -94.210
flat angles C4'-P-C4' energy: -94.873
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -121.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1513.254020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.254020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.254020 (E_RNA)
where:
Base-Base interactions energy: -1066.873
where: short stacking energy: -475.512
Base-Backbone interact. energy: -1.823
local terms energy: -444.558411
where:
bonds (distance) C4'-P energy: -84.077
bonds (distance) P-C4' energy: -81.620
flat angles C4'-P-C4' energy: -94.353
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -126.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1415.895736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.895736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.895736 (E_RNA)
where:
Base-Base interactions energy: -960.201
where: short stacking energy: -453.562
Base-Backbone interact. energy: -0.979
local terms energy: -454.716133
where:
bonds (distance) C4'-P energy: -77.939
bonds (distance) P-C4' energy: -89.733
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -66.493
tors. eta vs tors. theta energy: -133.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1365.900734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.900734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.900734 (E_RNA)
where:
Base-Base interactions energy: -931.930
where: short stacking energy: -421.907
Base-Backbone interact. energy: 3.878
local terms energy: -437.848429
where:
bonds (distance) C4'-P energy: -72.224
bonds (distance) P-C4' energy: -97.655
flat angles C4'-P-C4' energy: -89.987
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -114.802
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: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1280.200177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.200177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.200177 (E_RNA)
where:
Base-Base interactions energy: -861.095
where: short stacking energy: -381.157
Base-Backbone interact. energy: -1.066
local terms energy: -418.039213
where:
bonds (distance) C4'-P energy: -79.455
bonds (distance) P-C4' energy: -85.502
flat angles C4'-P-C4' energy: -98.085
flat angles P-C4'-P energy: -58.267
tors. eta vs tors. theta energy: -96.730
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: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1152.734803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.734803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.734803 (E_RNA)
where:
Base-Base interactions energy: -810.428
where: short stacking energy: -345.103
Base-Backbone interact. energy: -1.811
local terms energy: -340.495822
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -80.702
flat angles P-C4'-P energy: -59.044
tors. eta vs tors. theta energy: -74.433
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: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -999.465617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.465617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.465617 (E_RNA)
where:
Base-Base interactions energy: -687.467
where: short stacking energy: -273.350
Base-Backbone interact. energy: 0.728
local terms energy: -312.726983
where:
bonds (distance) C4'-P energy: -73.771
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -69.507
flat angles P-C4'-P energy: -42.722
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: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -748.676676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.676676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.676676 (E_RNA)
where:
Base-Base interactions energy: -434.915
where: short stacking energy: -210.605
Base-Backbone interact. energy: -1.961
local terms energy: -311.800775
where:
bonds (distance) C4'-P energy: -68.018
bonds (distance) P-C4' energy: -73.187
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -35.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -644.938201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.938201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.938201 (E_RNA)
where:
Base-Base interactions energy: -375.861
where: short stacking energy: -204.607
Base-Backbone interact. energy: -0.150
local terms energy: -268.926376
where:
bonds (distance) C4'-P energy: -82.357
bonds (distance) P-C4' energy: -73.038
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -30.447
tors. eta vs tors. theta energy: -12.642
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: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1684.113984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.113984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.113984 (E_RNA)
where:
Base-Base interactions energy: -1182.345
where: short stacking energy: -507.883
Base-Backbone interact. energy: -3.012
local terms energy: -498.756965
where:
bonds (distance) C4'-P energy: -94.611
bonds (distance) P-C4' energy: -90.981
flat angles C4'-P-C4' energy: -100.030
flat angles P-C4'-P energy: -66.248
tors. eta vs tors. theta energy: -146.886
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: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1565.263509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.263509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.263509 (E_RNA)
where:
Base-Base interactions energy: -1095.340
where: short stacking energy: -462.082
Base-Backbone interact. energy: 0.080
local terms energy: -470.003440
where:
bonds (distance) C4'-P energy: -79.090
bonds (distance) P-C4' energy: -96.462
flat angles C4'-P-C4' energy: -100.107
flat angles P-C4'-P energy: -65.985
tors. eta vs tors. theta energy: -128.359
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1538.690488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.690488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.690488 (E_RNA)
where:
Base-Base interactions energy: -1066.112
where: short stacking energy: -461.562
Base-Backbone interact. energy: -2.747
local terms energy: -469.831743
where:
bonds (distance) C4'-P energy: -82.007
bonds (distance) P-C4' energy: -83.833
flat angles C4'-P-C4' energy: -94.426
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -133.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1419.667210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.667210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.667210 (E_RNA)
where:
Base-Base interactions energy: -965.253
where: short stacking energy: -442.161
Base-Backbone interact. energy: 0.115
local terms energy: -454.529594
where:
bonds (distance) C4'-P energy: -78.316
bonds (distance) P-C4' energy: -85.309
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -58.130
tors. eta vs tors. theta energy: -128.048
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1361.067239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.067239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.067239 (E_RNA)
where:
Base-Base interactions energy: -914.036
where: short stacking energy: -408.262
Base-Backbone interact. energy: -2.784
local terms energy: -444.247733
where:
bonds (distance) C4'-P energy: -84.448
bonds (distance) P-C4' energy: -95.022
flat angles C4'-P-C4' energy: -94.365
flat angles P-C4'-P energy: -56.583
tors. eta vs tors. theta energy: -113.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1240.249706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.249706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.249706 (E_RNA)
where:
Base-Base interactions energy: -814.511
where: short stacking energy: -358.727
Base-Backbone interact. energy: 1.121
local terms energy: -426.860044
where:
bonds (distance) C4'-P energy: -83.286
bonds (distance) P-C4' energy: -94.486
flat angles C4'-P-C4' energy: -93.256
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -95.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1168.186041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.186041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.186041 (E_RNA)
where:
Base-Base interactions energy: -819.649
where: short stacking energy: -357.314
Base-Backbone interact. energy: 0.453
local terms energy: -348.990269
where:
bonds (distance) C4'-P energy: -68.016
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -88.311
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -69.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1012.948886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.948886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.948886 (E_RNA)
where:
Base-Base interactions energy: -649.929
where: short stacking energy: -288.523
Base-Backbone interact. energy: -1.712
local terms energy: -361.307433
where:
bonds (distance) C4'-P energy: -78.806
bonds (distance) P-C4' energy: -86.569
flat angles C4'-P-C4' energy: -85.286
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -65.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -771.391446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.391446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.391446 (E_RNA)
where:
Base-Base interactions energy: -473.358
where: short stacking energy: -222.966
Base-Backbone interact. energy: 1.478
local terms energy: -299.511442
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -56.815
flat angles C4'-P-C4' energy: -80.031
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -35.999
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: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -659.805806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.805806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.805806 (E_RNA)
where:
Base-Base interactions energy: -380.642
where: short stacking energy: -190.899
Base-Backbone interact. energy: 1.166
local terms energy: -280.329097
where:
bonds (distance) C4'-P energy: -85.456
bonds (distance) P-C4' energy: -70.209
flat angles C4'-P-C4' energy: -54.120
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -19.224
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: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1693.732384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.732384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.732384 (E_RNA)
where:
Base-Base interactions energy: -1181.849
where: short stacking energy: -528.858
Base-Backbone interact. energy: 0.523
local terms energy: -512.406060
where:
bonds (distance) C4'-P energy: -87.465
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -113.331
flat angles P-C4'-P energy: -88.335
tors. eta vs tors. theta energy: -146.786
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: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1546.208901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.208901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.208901 (E_RNA)
where:
Base-Base interactions energy: -1072.204
where: short stacking energy: -450.729
Base-Backbone interact. energy: -1.516
local terms energy: -472.489320
where:
bonds (distance) C4'-P energy: -86.416
bonds (distance) P-C4' energy: -91.780
flat angles C4'-P-C4' energy: -99.148
flat angles P-C4'-P energy: -69.353
tors. eta vs tors. theta energy: -125.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1513.492668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.492668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.492668 (E_RNA)
where:
Base-Base interactions energy: -1050.875
where: short stacking energy: -480.806
Base-Backbone interact. energy: 2.659
local terms energy: -465.277011
where:
bonds (distance) C4'-P energy: -82.646
bonds (distance) P-C4' energy: -81.514
flat angles C4'-P-C4' energy: -94.544
flat angles P-C4'-P energy: -68.928
tors. eta vs tors. theta energy: -137.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1387.118704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.118704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.118704 (E_RNA)
where:
Base-Base interactions energy: -926.514
where: short stacking energy: -415.824
Base-Backbone interact. energy: 3.341
local terms energy: -463.945969
where:
bonds (distance) C4'-P energy: -88.049
bonds (distance) P-C4' energy: -87.678
flat angles C4'-P-C4' energy: -98.854
flat angles P-C4'-P energy: -67.235
tors. eta vs tors. theta energy: -122.130
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1322.402671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.402671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.402671 (E_RNA)
where:
Base-Base interactions energy: -894.930
where: short stacking energy: -422.059
Base-Backbone interact. energy: -1.048
local terms energy: -426.424597
where:
bonds (distance) C4'-P energy: -81.450
bonds (distance) P-C4' energy: -80.095
flat angles C4'-P-C4' energy: -85.877
flat angles P-C4'-P energy: -58.099
tors. eta vs tors. theta energy: -120.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1314.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.334905 (E_RNA)
where:
Base-Base interactions energy: -895.287
where: short stacking energy: -403.950
Base-Backbone interact. energy: -0.874
local terms energy: -418.174736
where:
bonds (distance) C4'-P energy: -72.368
bonds (distance) P-C4' energy: -89.619
flat angles C4'-P-C4' energy: -92.770
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -112.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1186.533879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.533879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.533879 (E_RNA)
where:
Base-Base interactions energy: -847.132
where: short stacking energy: -354.442
Base-Backbone interact. energy: -0.741
local terms energy: -338.660976
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -74.160
flat angles C4'-P-C4' energy: -83.797
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -83.273
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: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1020.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.359395 (E_RNA)
where:
Base-Base interactions energy: -678.120
where: short stacking energy: -304.749
Base-Backbone interact. energy: 12.356
local terms energy: -354.595498
where:
bonds (distance) C4'-P energy: -74.560
bonds (distance) P-C4' energy: -82.006
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -54.422
tors. eta vs tors. theta energy: -68.837
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: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -716.826061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.826061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.826061 (E_RNA)
where:
Base-Base interactions energy: -463.727
where: short stacking energy: -231.068
Base-Backbone interact. energy: 1.504
local terms energy: -254.603116
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -74.469
flat angles C4'-P-C4' energy: -73.162
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -27.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -663.661902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.661902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.661902 (E_RNA)
where:
Base-Base interactions energy: -384.814
where: short stacking energy: -208.560
Base-Backbone interact. energy: -1.721
local terms energy: -277.126967
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -73.337
flat angles C4'-P-C4' energy: -70.156
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -34.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1681.564719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.564719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.564719 (E_RNA)
where:
Base-Base interactions energy: -1166.279
where: short stacking energy: -511.263
Base-Backbone interact. energy: -4.315
local terms energy: -510.970407
where:
bonds (distance) C4'-P energy: -96.208
bonds (distance) P-C4' energy: -95.908
flat angles C4'-P-C4' energy: -108.625
flat angles P-C4'-P energy: -68.663
tors. eta vs tors. theta energy: -141.567
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1550.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.529601 (E_RNA)
where:
Base-Base interactions energy: -1080.399
where: short stacking energy: -498.850
Base-Backbone interact. energy: -0.628
local terms energy: -469.503167
where:
bonds (distance) C4'-P energy: -75.335
bonds (distance) P-C4' energy: -85.903
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -72.845
tors. eta vs tors. theta energy: -143.138
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: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1501.472681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.472681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.472681 (E_RNA)
where:
Base-Base interactions energy: -1038.577
where: short stacking energy: -460.780
Base-Backbone interact. energy: -1.406
local terms energy: -461.490400
where:
bonds (distance) C4'-P energy: -94.169
bonds (distance) P-C4' energy: -82.043
flat angles C4'-P-C4' energy: -89.725
flat angles P-C4'-P energy: -73.741
tors. eta vs tors. theta energy: -121.813
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: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1403.739138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.739138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.739138 (E_RNA)
where:
Base-Base interactions energy: -931.100
where: short stacking energy: -435.958
Base-Backbone interact. energy: 1.572
local terms energy: -474.211271
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -85.659
flat angles C4'-P-C4' energy: -109.262
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -129.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1348.148799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.148799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.148799 (E_RNA)
where:
Base-Base interactions energy: -916.290
where: short stacking energy: -424.178
Base-Backbone interact. energy: -0.879
local terms energy: -430.980081
where:
bonds (distance) C4'-P energy: -75.259
bonds (distance) P-C4' energy: -77.972
flat angles C4'-P-C4' energy: -93.095
flat angles P-C4'-P energy: -59.641
tors. eta vs tors. theta energy: -125.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1301.241769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.241769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.241769 (E_RNA)
where:
Base-Base interactions energy: -920.897
where: short stacking energy: -403.453
Base-Backbone interact. energy: -1.882
local terms energy: -378.462789
where:
bonds (distance) C4'-P energy: -75.838
bonds (distance) P-C4' energy: -76.729
flat angles C4'-P-C4' energy: -84.720
flat angles P-C4'-P energy: -38.154
tors. eta vs tors. theta energy: -103.022
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1174.308051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.308051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.308051 (E_RNA)
where:
Base-Base interactions energy: -803.643
where: short stacking energy: -359.976
Base-Backbone interact. energy: 2.618
local terms energy: -373.283372
where:
bonds (distance) C4'-P energy: -67.803
bonds (distance) P-C4' energy: -84.070
flat angles C4'-P-C4' energy: -96.856
flat angles P-C4'-P energy: -55.323
tors. eta vs tors. theta energy: -69.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1048.208481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.208481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.208481 (E_RNA)
where:
Base-Base interactions energy: -682.657
where: short stacking energy: -296.006
Base-Backbone interact. energy: -2.026
local terms energy: -363.525630
where:
bonds (distance) C4'-P energy: -82.806
bonds (distance) P-C4' energy: -81.166
flat angles C4'-P-C4' energy: -83.613
flat angles P-C4'-P energy: -55.368
tors. eta vs tors. theta energy: -60.572
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: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -712.908840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.908840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.908840 (E_RNA)
where:
Base-Base interactions energy: -407.034
where: short stacking energy: -211.550
Base-Backbone interact. energy: 2.618
local terms energy: -308.492322
where:
bonds (distance) C4'-P energy: -73.659
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -80.014
flat angles P-C4'-P energy: -54.641
tors. eta vs tors. theta energy: -22.362
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: 453
Temperature: 1.350000
Total energy: -687.892748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.892748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.892748 (E_RNA)
where:
Base-Base interactions energy: -410.204
where: short stacking energy: -185.554
Base-Backbone interact. energy: -1.413
local terms energy: -276.275520
where:
bonds (distance) C4'-P energy: -72.446
bonds (distance) P-C4' energy: -64.374
flat angles C4'-P-C4' energy: -77.347
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -15.861
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1696.155336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.155336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.155336 (E_RNA)
where:
Base-Base interactions energy: -1178.941
where: short stacking energy: -516.450
Base-Backbone interact. energy: -2.986
local terms energy: -514.228825
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -88.313
flat angles C4'-P-C4' energy: -109.573
flat angles P-C4'-P energy: -82.006
tors. eta vs tors. theta energy: -147.435
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: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1569.702843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.702843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.702843 (E_RNA)
where:
Base-Base interactions energy: -1074.704
where: short stacking energy: -486.879
Base-Backbone interact. energy: -4.663
local terms energy: -490.336188
where:
bonds (distance) C4'-P energy: -79.005
bonds (distance) P-C4' energy: -92.879
flat angles C4'-P-C4' energy: -105.111
flat angles P-C4'-P energy: -67.053
tors. eta vs tors. theta energy: -146.288
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: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1514.094297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.094297 (E_RNA)
where:
Base-Base interactions energy: -1078.105
where: short stacking energy: -461.351
Base-Backbone interact. energy: -2.303
local terms energy: -433.685777
where:
bonds (distance) C4'-P energy: -80.889
bonds (distance) P-C4' energy: -80.935
flat angles C4'-P-C4' energy: -94.194
flat angles P-C4'-P energy: -58.515
tors. eta vs tors. theta energy: -119.152
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: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1427.561380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.561380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.561380 (E_RNA)
where:
Base-Base interactions energy: -986.524
where: short stacking energy: -468.116
Base-Backbone interact. energy: -0.142
local terms energy: -440.895214
where:
bonds (distance) C4'-P energy: -71.295
bonds (distance) P-C4' energy: -71.934
flat angles C4'-P-C4' energy: -95.416
flat angles P-C4'-P energy: -66.003
tors. eta vs tors. theta energy: -136.249
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1332.907308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.907308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.907308 (E_RNA)
where:
Base-Base interactions energy: -904.935
where: short stacking energy: -407.198
Base-Backbone interact. energy: 2.707
local terms energy: -430.678519
where:
bonds (distance) C4'-P energy: -81.488
bonds (distance) P-C4' energy: -94.744
flat angles C4'-P-C4' energy: -89.093
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -113.098
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: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1319.191483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.191483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.191483 (E_RNA)
where:
Base-Base interactions energy: -913.911
where: short stacking energy: -421.987
Base-Backbone interact. energy: -2.086
local terms energy: -403.194866
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -71.268
flat angles C4'-P-C4' energy: -84.202
flat angles P-C4'-P energy: -60.413
tors. eta vs tors. theta energy: -119.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1153.123992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.123992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.123992 (E_RNA)
where:
Base-Base interactions energy: -795.869
where: short stacking energy: -345.157
Base-Backbone interact. energy: 1.457
local terms energy: -358.712379
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -68.280
flat angles C4'-P-C4' energy: -84.919
flat angles P-C4'-P energy: -59.812
tors. eta vs tors. theta energy: -78.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1050.606113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.606113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.606113 (E_RNA)
where:
Base-Base interactions energy: -698.321
where: short stacking energy: -321.879
Base-Backbone interact. energy: 1.062
local terms energy: -353.347749
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -79.700
flat angles C4'-P-C4' energy: -85.958
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -71.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -724.434681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.434681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.434681 (E_RNA)
where:
Base-Base interactions energy: -437.498
where: short stacking energy: -205.772
Base-Backbone interact. energy: 1.135
local terms energy: -288.071676
where:
bonds (distance) C4'-P energy: -77.400
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -75.285
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -38.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -721.873652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.873652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.873652 (E_RNA)
where:
Base-Base interactions energy: -452.913
where: short stacking energy: -210.043
Base-Backbone interact. energy: -1.078
local terms energy: -267.882700
where:
bonds (distance) C4'-P energy: -71.442
bonds (distance) P-C4' energy: -69.423
flat angles C4'-P-C4' energy: -65.158
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -23.570
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: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1704.067547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.067547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.067547 (E_RNA)
where:
Base-Base interactions energy: -1196.013
where: short stacking energy: -537.480
Base-Backbone interact. energy: -2.302
local terms energy: -505.752020
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -96.325
flat angles C4'-P-C4' energy: -106.141
flat angles P-C4'-P energy: -69.866
tors. eta vs tors. theta energy: -142.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1558.912165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.912165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.912165 (E_RNA)
where:
Base-Base interactions energy: -1097.741
where: short stacking energy: -458.234
Base-Backbone interact. energy: -1.750
local terms energy: -459.421497
where:
bonds (distance) C4'-P energy: -79.109
bonds (distance) P-C4' energy: -86.916
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -69.834
tors. eta vs tors. theta energy: -117.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1526.062072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.062072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.062072 (E_RNA)
where:
Base-Base interactions energy: -1064.956
where: short stacking energy: -476.203
Base-Backbone interact. energy: -3.189
local terms energy: -457.917374
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -74.823
flat angles C4'-P-C4' energy: -98.536
flat angles P-C4'-P energy: -73.354
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: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1419.691448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.691448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.691448 (E_RNA)
where:
Base-Base interactions energy: -987.993
where: short stacking energy: -443.850
Base-Backbone interact. energy: -0.722
local terms energy: -430.976611
where:
bonds (distance) C4'-P energy: -76.211
bonds (distance) P-C4' energy: -66.341
flat angles C4'-P-C4' energy: -102.866
flat angles P-C4'-P energy: -54.213
tors. eta vs tors. theta energy: -131.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1343.616019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.616019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.616019 (E_RNA)
where:
Base-Base interactions energy: -903.109
where: short stacking energy: -416.248
Base-Backbone interact. energy: -1.695
local terms energy: -438.812335
where:
bonds (distance) C4'-P energy: -80.226
bonds (distance) P-C4' energy: -73.848
flat angles C4'-P-C4' energy: -104.167
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -117.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1302.868660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.868660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.868660 (E_RNA)
where:
Base-Base interactions energy: -898.145
where: short stacking energy: -414.464
Base-Backbone interact. energy: 0.016
local terms energy: -404.739519
where:
bonds (distance) C4'-P energy: -68.338
bonds (distance) P-C4' energy: -83.172
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -111.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1195.256896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.256896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.256896 (E_RNA)
where:
Base-Base interactions energy: -843.833
where: short stacking energy: -376.489
Base-Backbone interact. energy: 1.806
local terms energy: -353.230430
where:
bonds (distance) C4'-P energy: -60.714
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -91.850
flat angles P-C4'-P energy: -57.853
tors. eta vs tors. theta energy: -77.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1035.887968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.887968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.887968 (E_RNA)
where:
Base-Base interactions energy: -685.300
where: short stacking energy: -321.985
Base-Backbone interact. energy: 0.224
local terms energy: -350.812148
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -70.784
flat angles C4'-P-C4' energy: -82.488
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -59.183
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: 455
Temperature: 1.300000
Total energy: -717.973562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.973562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.973562 (E_RNA)
where:
Base-Base interactions energy: -424.669
where: short stacking energy: -203.804
Base-Backbone interact. energy: -0.402
local terms energy: -292.902083
where:
bonds (distance) C4'-P energy: -74.193
bonds (distance) P-C4' energy: -65.651
flat angles C4'-P-C4' energy: -78.315
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: -35.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -703.448092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.448092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.448092 (E_RNA)
where:
Base-Base interactions energy: -434.375
where: short stacking energy: -185.832
Base-Backbone interact. energy: 1.347
local terms energy: -270.420068
where:
bonds (distance) C4'-P energy: -76.472
bonds (distance) P-C4' energy: -61.243
flat angles C4'-P-C4' energy: -67.599
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1692.878024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.878024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.878024 (E_RNA)
where:
Base-Base interactions energy: -1179.988
where: short stacking energy: -509.468
Base-Backbone interact. energy: -1.523
local terms energy: -511.367000
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -110.545
flat angles P-C4'-P energy: -73.040
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1557.847859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.847859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.847859 (E_RNA)
where:
Base-Base interactions energy: -1079.253
where: short stacking energy: -432.866
Base-Backbone interact. energy: -3.557
local terms energy: -475.037483
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -93.199
flat angles C4'-P-C4' energy: -108.123
flat angles P-C4'-P energy: -56.445
tors. eta vs tors. theta energy: -116.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1507.725434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.725434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.725434 (E_RNA)
where:
Base-Base interactions energy: -1047.792
where: short stacking energy: -477.589
Base-Backbone interact. energy: -0.595
local terms energy: -459.338842
where:
bonds (distance) C4'-P energy: -70.790
bonds (distance) P-C4' energy: -102.473
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -64.751
tors. eta vs tors. theta energy: -121.920
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1397.428096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.428096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.428096 (E_RNA)
where:
Base-Base interactions energy: -940.979
where: short stacking energy: -427.158
Base-Backbone interact. energy: 1.783
local terms energy: -458.232616
where:
bonds (distance) C4'-P energy: -84.250
bonds (distance) P-C4' energy: -84.809
flat angles C4'-P-C4' energy: -96.889
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -120.876
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: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1334.333724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.333724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.333724 (E_RNA)
where:
Base-Base interactions energy: -903.233
where: short stacking energy: -412.545
Base-Backbone interact. energy: -2.303
local terms energy: -428.797025
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -95.050
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: -122.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1285.250700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.250700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.250700 (E_RNA)
where:
Base-Base interactions energy: -855.522
where: short stacking energy: -398.456
Base-Backbone interact. energy: 0.425
local terms energy: -430.153973
where:
bonds (distance) C4'-P energy: -86.086
bonds (distance) P-C4' energy: -86.640
flat angles C4'-P-C4' energy: -79.297
flat angles P-C4'-P energy: -64.475
tors. eta vs tors. theta energy: -113.655
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: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1177.616768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.616768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.616768 (E_RNA)
where:
Base-Base interactions energy: -823.434
where: short stacking energy: -352.990
Base-Backbone interact. energy: -4.220
local terms energy: -349.962472
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -76.550
flat angles C4'-P-C4' energy: -84.583
flat angles P-C4'-P energy: -44.634
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1091.984593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.984593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.984593 (E_RNA)
where:
Base-Base interactions energy: -731.335
where: short stacking energy: -327.716
Base-Backbone interact. energy: 4.577
local terms energy: -365.226755
where:
bonds (distance) C4'-P energy: -83.615
bonds (distance) P-C4' energy: -70.886
flat angles C4'-P-C4' energy: -80.199
flat angles P-C4'-P energy: -54.490
tors. eta vs tors. theta energy: -76.036
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -716.357216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.357216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.357216 (E_RNA)
where:
Base-Base interactions energy: -403.445
where: short stacking energy: -215.572
Base-Backbone interact. energy: 1.364
local terms energy: -314.276065
where:
bonds (distance) C4'-P energy: -87.131
bonds (distance) P-C4' energy: -72.092
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: -36.395
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -659.270707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.270707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.270707 (E_RNA)
where:
Base-Base interactions energy: -374.719
where: short stacking energy: -198.457
Base-Backbone interact. energy: 0.343
local terms energy: -284.894395
where:
bonds (distance) C4'-P energy: -83.937
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -41.817
tors. eta vs tors. theta energy: -32.114
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: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1696.729074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.729074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.729074 (E_RNA)
where:
Base-Base interactions energy: -1195.402
where: short stacking energy: -524.267
Base-Backbone interact. energy: -0.652
local terms energy: -500.674795
where:
bonds (distance) C4'-P energy: -98.698
bonds (distance) P-C4' energy: -93.330
flat angles C4'-P-C4' energy: -102.428
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -139.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1575.040868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.040868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.040868 (E_RNA)
where:
Base-Base interactions energy: -1105.697
where: short stacking energy: -448.509
Base-Backbone interact. energy: 2.128
local terms energy: -471.471971
where:
bonds (distance) C4'-P energy: -82.435
bonds (distance) P-C4' energy: -99.771
flat angles C4'-P-C4' energy: -99.187
flat angles P-C4'-P energy: -68.065
tors. eta vs tors. theta energy: -122.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1495.588716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.588716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.588716 (E_RNA)
where:
Base-Base interactions energy: -1018.587
where: short stacking energy: -451.903
Base-Backbone interact. energy: -1.542
local terms energy: -475.460109
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -95.516
flat angles P-C4'-P energy: -69.208
tors. eta vs tors. theta energy: -131.618
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1400.237266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.237266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.237266 (E_RNA)
where:
Base-Base interactions energy: -935.537
where: short stacking energy: -428.038
Base-Backbone interact. energy: -1.079
local terms energy: -463.621170
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -75.810
flat angles C4'-P-C4' energy: -99.717
flat angles P-C4'-P energy: -64.846
tors. eta vs tors. theta energy: -129.316
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: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1323.893127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.893127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.893127 (E_RNA)
where:
Base-Base interactions energy: -915.995
where: short stacking energy: -402.926
Base-Backbone interact. energy: -0.337
local terms energy: -407.561058
where:
bonds (distance) C4'-P energy: -73.819
bonds (distance) P-C4' energy: -85.018
flat angles C4'-P-C4' energy: -83.934
flat angles P-C4'-P energy: -59.222
tors. eta vs tors. theta energy: -105.569
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1236.445942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.445942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.445942 (E_RNA)
where:
Base-Base interactions energy: -825.510
where: short stacking energy: -360.397
Base-Backbone interact. energy: 1.467
local terms energy: -412.402400
where:
bonds (distance) C4'-P energy: -78.894
bonds (distance) P-C4' energy: -94.492
flat angles C4'-P-C4' energy: -96.362
flat angles P-C4'-P energy: -66.009
tors. eta vs tors. theta energy: -76.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1254.798489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.798489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.798489 (E_RNA)
where:
Base-Base interactions energy: -857.723
where: short stacking energy: -374.271
Base-Backbone interact. energy: -2.994
local terms energy: -394.081833
where:
bonds (distance) C4'-P energy: -72.559
bonds (distance) P-C4' energy: -79.527
flat angles C4'-P-C4' energy: -85.036
flat angles P-C4'-P energy: -53.526
tors. eta vs tors. theta energy: -103.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1124.601130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.601130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.601130 (E_RNA)
where:
Base-Base interactions energy: -770.788
where: short stacking energy: -333.098
Base-Backbone interact. energy: 1.504
local terms energy: -355.317753
where:
bonds (distance) C4'-P energy: -71.834
bonds (distance) P-C4' energy: -68.991
flat angles C4'-P-C4' energy: -81.826
flat angles P-C4'-P energy: -56.887
tors. eta vs tors. theta energy: -75.780
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: 457
Temperature: 1.300000
Total energy: -712.245587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.245587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.245587 (E_RNA)
where:
Base-Base interactions energy: -434.750
where: short stacking energy: -214.257
Base-Backbone interact. energy: -0.703
local terms energy: -276.792026
where:
bonds (distance) C4'-P energy: -69.725
bonds (distance) P-C4' energy: -80.770
flat angles C4'-P-C4' energy: -74.450
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -24.950
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: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -666.830333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.830333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.830333 (E_RNA)
where:
Base-Base interactions energy: -389.490
where: short stacking energy: -200.718
Base-Backbone interact. energy: -2.149
local terms energy: -275.190781
where:
bonds (distance) C4'-P energy: -77.453
bonds (distance) P-C4' energy: -72.612
flat angles C4'-P-C4' energy: -64.394
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1709.644688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.644688 (E_RNA)
where:
Base-Base interactions energy: -1211.928
where: short stacking energy: -531.240
Base-Backbone interact. energy: 3.286
local terms energy: -501.002657
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -92.587
flat angles C4'-P-C4' energy: -109.286
flat angles P-C4'-P energy: -68.715
tors. eta vs tors. theta energy: -143.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1576.022574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.022574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.022574 (E_RNA)
where:
Base-Base interactions energy: -1107.651
where: short stacking energy: -477.266
Base-Backbone interact. energy: -0.431
local terms energy: -467.941302
where:
bonds (distance) C4'-P energy: -85.321
bonds (distance) P-C4' energy: -89.626
flat angles C4'-P-C4' energy: -100.615
flat angles P-C4'-P energy: -69.661
tors. eta vs tors. theta energy: -122.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1494.552183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.552183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.552183 (E_RNA)
where:
Base-Base interactions energy: -1029.999
where: short stacking energy: -434.940
Base-Backbone interact. energy: -2.569
local terms energy: -461.984441
where:
bonds (distance) C4'-P energy: -79.742
bonds (distance) P-C4' energy: -87.503
flat angles C4'-P-C4' energy: -106.651
flat angles P-C4'-P energy: -63.841
tors. eta vs tors. theta energy: -124.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1407.410877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.410877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.410877 (E_RNA)
where:
Base-Base interactions energy: -944.715
where: short stacking energy: -451.694
Base-Backbone interact. energy: -1.894
local terms energy: -460.801879
where:
bonds (distance) C4'-P energy: -83.180
bonds (distance) P-C4' energy: -80.049
flat angles C4'-P-C4' energy: -103.332
flat angles P-C4'-P energy: -65.415
tors. eta vs tors. theta energy: -128.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1313.756847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.756847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.756847 (E_RNA)
where:
Base-Base interactions energy: -906.269
where: short stacking energy: -375.038
Base-Backbone interact. energy: -0.334
local terms energy: -407.153236
where:
bonds (distance) C4'-P energy: -82.151
bonds (distance) P-C4' energy: -83.320
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -76.152
tors. eta vs tors. theta energy: -81.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1321.800290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.800290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.800290 (E_RNA)
where:
Base-Base interactions energy: -893.892
where: short stacking energy: -395.296
Base-Backbone interact. energy: -0.495
local terms energy: -427.412967
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -70.323
flat angles C4'-P-C4' energy: -102.782
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -116.618
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: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1245.926752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.926752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.926752 (E_RNA)
where:
Base-Base interactions energy: -836.408
where: short stacking energy: -394.922
Base-Backbone interact. energy: -0.790
local terms energy: -408.728567
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -77.891
flat angles C4'-P-C4' energy: -89.011
flat angles P-C4'-P energy: -56.502
tors. eta vs tors. theta energy: -92.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1127.367812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.367812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.367812 (E_RNA)
where:
Base-Base interactions energy: -778.120
where: short stacking energy: -348.721
Base-Backbone interact. energy: -0.592
local terms energy: -348.655982
where:
bonds (distance) C4'-P energy: -78.579
bonds (distance) P-C4' energy: -66.389
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -48.205
tors. eta vs tors. theta energy: -77.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -731.462232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.462232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.462232 (E_RNA)
where:
Base-Base interactions energy: -468.202
where: short stacking energy: -240.463
Base-Backbone interact. energy: 2.315
local terms energy: -265.574502
where:
bonds (distance) C4'-P energy: -76.476
bonds (distance) P-C4' energy: -49.708
flat angles C4'-P-C4' energy: -71.152
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -29.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -773.839372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.839372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.839372 (E_RNA)
where:
Base-Base interactions energy: -495.016
where: short stacking energy: -244.463
Base-Backbone interact. energy: -1.587
local terms energy: -277.237262
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -37.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1707.386792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.386792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.386792 (E_RNA)
where:
Base-Base interactions energy: -1199.095
where: short stacking energy: -509.945
Base-Backbone interact. energy: -2.586
local terms energy: -505.705512
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -88.736
flat angles C4'-P-C4' energy: -106.155
flat angles P-C4'-P energy: -78.235
tors. eta vs tors. theta energy: -140.082
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: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1570.934883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.934883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.934883 (E_RNA)
where:
Base-Base interactions energy: -1086.019
where: short stacking energy: -454.977
Base-Backbone interact. energy: -4.354
local terms energy: -480.562141
where:
bonds (distance) C4'-P energy: -90.626
bonds (distance) P-C4' energy: -94.135
flat angles C4'-P-C4' energy: -102.523
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -125.972
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: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1534.709008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.709008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.709008 (E_RNA)
where:
Base-Base interactions energy: -1062.918
where: short stacking energy: -472.688
Base-Backbone interact. energy: -2.092
local terms energy: -469.699093
where:
bonds (distance) C4'-P energy: -78.348
bonds (distance) P-C4' energy: -99.090
flat angles C4'-P-C4' energy: -102.305
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: -134.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1430.162382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.162382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.162382 (E_RNA)
where:
Base-Base interactions energy: -977.437
where: short stacking energy: -434.232
Base-Backbone interact. energy: -1.791
local terms energy: -450.933708
where:
bonds (distance) C4'-P energy: -80.207
bonds (distance) P-C4' energy: -82.844
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -66.368
tors. eta vs tors. theta energy: -121.167
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: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1283.206477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.206477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.206477 (E_RNA)
where:
Base-Base interactions energy: -889.893
where: short stacking energy: -375.955
Base-Backbone interact. energy: -3.379
local terms energy: -389.934858
where:
bonds (distance) C4'-P energy: -76.132
bonds (distance) P-C4' energy: -83.796
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -82.998
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: 459
Temperature: 1.150000
Total energy: -1313.393172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.393172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.393172 (E_RNA)
where:
Base-Base interactions energy: -887.311
where: short stacking energy: -404.063
Base-Backbone interact. energy: -0.819
local terms energy: -425.263236
where:
bonds (distance) C4'-P energy: -62.504
bonds (distance) P-C4' energy: -93.340
flat angles C4'-P-C4' energy: -89.179
flat angles P-C4'-P energy: -60.211
tors. eta vs tors. theta energy: -120.029
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: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1227.267097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.267097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.267097 (E_RNA)
where:
Base-Base interactions energy: -830.777
where: short stacking energy: -389.162
Base-Backbone interact. energy: -2.553
local terms energy: -393.936532
where:
bonds (distance) C4'-P energy: -75.842
bonds (distance) P-C4' energy: -85.415
flat angles C4'-P-C4' energy: -81.272
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: -97.448
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1146.250491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.250491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.250491 (E_RNA)
where:
Base-Base interactions energy: -798.867
where: short stacking energy: -335.866
Base-Backbone interact. energy: 1.092
local terms energy: -348.475602
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -77.209
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -83.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -757.537230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.537230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.537230 (E_RNA)
where:
Base-Base interactions energy: -458.432
where: short stacking energy: -203.274
Base-Backbone interact. energy: 0.152
local terms energy: -299.257023
where:
bonds (distance) C4'-P energy: -67.537
bonds (distance) P-C4' energy: -73.810
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -54.808
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -745.972834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.972834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.972834 (E_RNA)
where:
Base-Base interactions energy: -474.820
where: short stacking energy: -216.211
Base-Backbone interact. energy: 0.815
local terms energy: -271.967328
where:
bonds (distance) C4'-P energy: -79.777
bonds (distance) P-C4' energy: -69.219
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -37.807
tors. eta vs tors. theta energy: -31.488
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: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1707.101000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.101000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.101000 (E_RNA)
where:
Base-Base interactions energy: -1197.355
where: short stacking energy: -528.322
Base-Backbone interact. energy: -5.841
local terms energy: -503.905125
where:
bonds (distance) C4'-P energy: -95.871
bonds (distance) P-C4' energy: -94.789
flat angles C4'-P-C4' energy: -95.640
flat angles P-C4'-P energy: -79.021
tors. eta vs tors. theta energy: -138.584
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: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1556.836317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.836317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.836317 (E_RNA)
where:
Base-Base interactions energy: -1087.069
where: short stacking energy: -457.093
Base-Backbone interact. energy: -0.441
local terms energy: -469.326015
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -90.522
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -72.933
tors. eta vs tors. theta energy: -124.341
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: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1506.942180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.942180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.942180 (E_RNA)
where:
Base-Base interactions energy: -1052.025
where: short stacking energy: -454.539
Base-Backbone interact. energy: -3.429
local terms energy: -451.487409
where:
bonds (distance) C4'-P energy: -82.750
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -93.068
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -123.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1418.312356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.312356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.312356 (E_RNA)
where:
Base-Base interactions energy: -969.133
where: short stacking energy: -436.740
Base-Backbone interact. energy: -1.427
local terms energy: -447.751854
where:
bonds (distance) C4'-P energy: -76.038
bonds (distance) P-C4' energy: -84.979
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -59.794
tors. eta vs tors. theta energy: -136.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1321.933250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.933250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.933250 (E_RNA)
where:
Base-Base interactions energy: -887.002
where: short stacking energy: -380.616
Base-Backbone interact. energy: 1.259
local terms energy: -436.190895
where:
bonds (distance) C4'-P energy: -79.684
bonds (distance) P-C4' energy: -81.270
flat angles C4'-P-C4' energy: -104.073
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -120.758
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: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1232.283619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.283619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.283619 (E_RNA)
where:
Base-Base interactions energy: -859.459
where: short stacking energy: -366.518
Base-Backbone interact. energy: 0.092
local terms energy: -372.916539
where:
bonds (distance) C4'-P energy: -75.903
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -85.317
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -85.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1238.866062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.866062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.866062 (E_RNA)
where:
Base-Base interactions energy: -834.824
where: short stacking energy: -374.481
Base-Backbone interact. energy: 2.449
local terms energy: -406.491411
where:
bonds (distance) C4'-P energy: -75.901
bonds (distance) P-C4' energy: -89.389
flat angles C4'-P-C4' energy: -88.751
flat angles P-C4'-P energy: -56.000
tors. eta vs tors. theta energy: -96.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1113.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.364931 (E_RNA)
where:
Base-Base interactions energy: -770.207
where: short stacking energy: -327.437
Base-Backbone interact. energy: -2.557
local terms energy: -340.600786
where:
bonds (distance) C4'-P energy: -67.553
bonds (distance) P-C4' energy: -62.679
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -89.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -675.307468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.307468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.307468 (E_RNA)
where:
Base-Base interactions energy: -396.968
where: short stacking energy: -210.208
Base-Backbone interact. energy: 3.446
local terms energy: -281.784980
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -96.876
flat angles C4'-P-C4' energy: -64.102
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -746.497548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.497548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.497548 (E_RNA)
where:
Base-Base interactions energy: -439.319
where: short stacking energy: -212.953
Base-Backbone interact. energy: -2.440
local terms energy: -304.739034
where:
bonds (distance) C4'-P energy: -66.065
bonds (distance) P-C4' energy: -85.949
flat angles C4'-P-C4' energy: -77.888
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1708.119450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.119450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.119450 (E_RNA)
where:
Base-Base interactions energy: -1197.566
where: short stacking energy: -522.990
Base-Backbone interact. energy: -6.019
local terms energy: -504.535205
where:
bonds (distance) C4'-P energy: -83.523
bonds (distance) P-C4' energy: -90.339
flat angles C4'-P-C4' energy: -105.840
flat angles P-C4'-P energy: -75.174
tors. eta vs tors. theta energy: -149.660
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: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1544.025437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.025437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.025437 (E_RNA)
where:
Base-Base interactions energy: -1074.038
where: short stacking energy: -463.862
Base-Backbone interact. energy: -1.101
local terms energy: -468.886187
where:
bonds (distance) C4'-P energy: -77.649
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -102.405
flat angles P-C4'-P energy: -69.071
tors. eta vs tors. theta energy: -127.823
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: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1501.360809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.360809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.360809 (E_RNA)
where:
Base-Base interactions energy: -1042.839
where: short stacking energy: -452.980
Base-Backbone interact. energy: -3.977
local terms energy: -454.544591
where:
bonds (distance) C4'-P energy: -77.209
bonds (distance) P-C4' energy: -89.892
flat angles C4'-P-C4' energy: -99.073
flat angles P-C4'-P energy: -62.565
tors. eta vs tors. theta energy: -125.806
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: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1415.483989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.483989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.483989 (E_RNA)
where:
Base-Base interactions energy: -977.180
where: short stacking energy: -448.230
Base-Backbone interact. energy: -1.536
local terms energy: -436.768311
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -102.302
flat angles P-C4'-P energy: -64.448
tors. eta vs tors. theta energy: -128.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1276.379976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.379976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.379976 (E_RNA)
where:
Base-Base interactions energy: -863.341
where: short stacking energy: -421.006
Base-Backbone interact. energy: -1.636
local terms energy: -411.403409
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -81.658
flat angles C4'-P-C4' energy: -97.181
flat angles P-C4'-P energy: -53.844
tors. eta vs tors. theta energy: -107.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1274.286319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.286319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.286319 (E_RNA)
where:
Base-Base interactions energy: -873.158
where: short stacking energy: -399.259
Base-Backbone interact. energy: -0.467
local terms energy: -400.661247
where:
bonds (distance) C4'-P energy: -77.933
bonds (distance) P-C4' energy: -81.498
flat angles C4'-P-C4' energy: -78.102
flat angles P-C4'-P energy: -66.023
tors. eta vs tors. theta energy: -97.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1177.320818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.320818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.320818 (E_RNA)
where:
Base-Base interactions energy: -826.464
where: short stacking energy: -363.739
Base-Backbone interact. energy: 0.841
local terms energy: -351.697402
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -82.986
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -53.860
tors. eta vs tors. theta energy: -70.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1118.820499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.820499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.820499 (E_RNA)
where:
Base-Base interactions energy: -759.405
where: short stacking energy: -329.614
Base-Backbone interact. energy: 0.636
local terms energy: -360.051046
where:
bonds (distance) C4'-P energy: -66.457
bonds (distance) P-C4' energy: -77.610
flat angles C4'-P-C4' energy: -89.161
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -78.445
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: 461
Temperature: 1.300000
Total energy: -690.569881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.569881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.569881 (E_RNA)
where:
Base-Base interactions energy: -396.006
where: short stacking energy: -213.527
Base-Backbone interact. energy: -0.730
local terms energy: -293.833896
where:
bonds (distance) C4'-P energy: -62.794
bonds (distance) P-C4' energy: -69.655
flat angles C4'-P-C4' energy: -81.480
flat angles P-C4'-P energy: -49.735
tors. eta vs tors. theta energy: -30.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -698.168619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.168619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.168619 (E_RNA)
where:
Base-Base interactions energy: -426.171
where: short stacking energy: -220.285
Base-Backbone interact. energy: 4.551
local terms energy: -276.547899
where:
bonds (distance) C4'-P energy: -81.875
bonds (distance) P-C4' energy: -66.794
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1702.534659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.534659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.534659 (E_RNA)
where:
Base-Base interactions energy: -1193.902
where: short stacking energy: -519.730
Base-Backbone interact. energy: -3.194
local terms energy: -505.438350
where:
bonds (distance) C4'-P energy: -89.289
bonds (distance) P-C4' energy: -91.700
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -72.210
tors. eta vs tors. theta energy: -151.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1541.225047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.225047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.225047 (E_RNA)
where:
Base-Base interactions energy: -1059.045
where: short stacking energy: -439.434
Base-Backbone interact. energy: -2.653
local terms energy: -479.526186
where:
bonds (distance) C4'-P energy: -94.755
bonds (distance) P-C4' energy: -89.192
flat angles C4'-P-C4' energy: -98.572
flat angles P-C4'-P energy: -81.824
tors. eta vs tors. theta energy: -115.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1495.853481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.853481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.853481 (E_RNA)
where:
Base-Base interactions energy: -1049.807
where: short stacking energy: -450.457
Base-Backbone interact. energy: -1.355
local terms energy: -444.691773
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -92.366
flat angles C4'-P-C4' energy: -92.072
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: -117.759
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: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1423.898877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.898877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.898877 (E_RNA)
where:
Base-Base interactions energy: -972.959
where: short stacking energy: -448.926
Base-Backbone interact. energy: 1.037
local terms energy: -451.976971
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -89.513
flat angles C4'-P-C4' energy: -86.964
flat angles P-C4'-P energy: -61.750
tors. eta vs tors. theta energy: -130.060
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: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1299.904871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.904871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.904871 (E_RNA)
where:
Base-Base interactions energy: -869.385
where: short stacking energy: -393.144
Base-Backbone interact. energy: 1.751
local terms energy: -432.271207
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -91.502
flat angles P-C4'-P energy: -58.883
tors. eta vs tors. theta energy: -118.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1309.814752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.814752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.814752 (E_RNA)
where:
Base-Base interactions energy: -914.575
where: short stacking energy: -410.068
Base-Backbone interact. energy: -2.180
local terms energy: -393.059631
where:
bonds (distance) C4'-P energy: -80.620
bonds (distance) P-C4' energy: -86.978
flat angles C4'-P-C4' energy: -71.527
flat angles P-C4'-P energy: -51.997
tors. eta vs tors. theta energy: -101.938
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: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1207.514361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.514361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.514361 (E_RNA)
where:
Base-Base interactions energy: -819.347
where: short stacking energy: -341.635
Base-Backbone interact. energy: -1.103
local terms energy: -387.064289
where:
bonds (distance) C4'-P energy: -81.159
bonds (distance) P-C4' energy: -79.288
flat angles C4'-P-C4' energy: -91.011
flat angles P-C4'-P energy: -55.593
tors. eta vs tors. theta energy: -80.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1100.235494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.235494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.235494 (E_RNA)
where:
Base-Base interactions energy: -762.638
where: short stacking energy: -327.649
Base-Backbone interact. energy: 0.096
local terms energy: -337.693420
where:
bonds (distance) C4'-P energy: -58.309
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -82.719
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -79.388
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: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -712.527353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.527353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.527353 (E_RNA)
where:
Base-Base interactions energy: -415.159
where: short stacking energy: -227.009
Base-Backbone interact. energy: 0.687
local terms energy: -298.055681
where:
bonds (distance) C4'-P energy: -79.327
bonds (distance) P-C4' energy: -67.686
flat angles C4'-P-C4' energy: -90.052
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -632.747701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.747701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.747701 (E_RNA)
where:
Base-Base interactions energy: -356.891
where: short stacking energy: -174.751
Base-Backbone interact. energy: -3.279
local terms energy: -272.577397
where:
bonds (distance) C4'-P energy: -60.087
bonds (distance) P-C4' energy: -80.790
flat angles C4'-P-C4' energy: -65.537
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1688.164668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.164668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.164668 (E_RNA)
where:
Base-Base interactions energy: -1181.123
where: short stacking energy: -513.702
Base-Backbone interact. energy: -3.640
local terms energy: -503.402493
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -96.889
flat angles C4'-P-C4' energy: -101.821
flat angles P-C4'-P energy: -72.951
tors. eta vs tors. theta energy: -141.957
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: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1551.942080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.942080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.942080 (E_RNA)
where:
Base-Base interactions energy: -1084.477
where: short stacking energy: -477.369
Base-Backbone interact. energy: -1.722
local terms energy: -465.743221
where:
bonds (distance) C4'-P energy: -97.933
bonds (distance) P-C4' energy: -77.949
flat angles C4'-P-C4' energy: -103.199
flat angles P-C4'-P energy: -58.980
tors. eta vs tors. theta energy: -127.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1493.721003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.721003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.721003 (E_RNA)
where:
Base-Base interactions energy: -1024.663
where: short stacking energy: -448.251
Base-Backbone interact. energy: 1.803
local terms energy: -470.860517
where:
bonds (distance) C4'-P energy: -83.573
bonds (distance) P-C4' energy: -87.563
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -67.684
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: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1405.416369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.416369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.416369 (E_RNA)
where:
Base-Base interactions energy: -964.657
where: short stacking energy: -436.540
Base-Backbone interact. energy: -0.902
local terms energy: -439.856978
where:
bonds (distance) C4'-P energy: -79.754
bonds (distance) P-C4' energy: -83.579
flat angles C4'-P-C4' energy: -92.615
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -123.134
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: 463
Temperature: 1.100000
Total energy: -1336.156426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.156426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.156426 (E_RNA)
where:
Base-Base interactions energy: -919.124
where: short stacking energy: -411.166
Base-Backbone interact. energy: 2.475
local terms energy: -419.506969
where:
bonds (distance) C4'-P energy: -80.063
bonds (distance) P-C4' energy: -81.779
flat angles C4'-P-C4' energy: -93.081
flat angles P-C4'-P energy: -55.179
tors. eta vs tors. theta energy: -109.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1342.871341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.871341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.871341 (E_RNA)
where:
Base-Base interactions energy: -917.737
where: short stacking energy: -407.818
Base-Backbone interact. energy: -0.355
local terms energy: -424.779719
where:
bonds (distance) C4'-P energy: -86.923
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -93.523
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: -109.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1212.552933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.552933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.552933 (E_RNA)
where:
Base-Base interactions energy: -861.666
where: short stacking energy: -360.535
Base-Backbone interact. energy: -1.469
local terms energy: -349.418181
where:
bonds (distance) C4'-P energy: -72.086
bonds (distance) P-C4' energy: -85.402
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -72.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1070.783206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.783206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.783206 (E_RNA)
where:
Base-Base interactions energy: -707.350
where: short stacking energy: -319.939
Base-Backbone interact. energy: -1.306
local terms energy: -362.126502
where:
bonds (distance) C4'-P energy: -83.421
bonds (distance) P-C4' energy: -86.191
flat angles C4'-P-C4' energy: -75.453
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: -68.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -672.804359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.804359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.804359 (E_RNA)
where:
Base-Base interactions energy: -385.872
where: short stacking energy: -204.805
Base-Backbone interact. energy: -0.154
local terms energy: -286.778149
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -76.927
flat angles C4'-P-C4' energy: -68.599
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -577.225310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.225310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.225310 (E_RNA)
where:
Base-Base interactions energy: -312.824
where: short stacking energy: -172.477
Base-Backbone interact. energy: -1.270
local terms energy: -263.130632
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -83.537
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1686.982032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.982032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.982032 (E_RNA)
where:
Base-Base interactions energy: -1173.318
where: short stacking energy: -529.113
Base-Backbone interact. energy: -2.162
local terms energy: -511.501895
where:
bonds (distance) C4'-P energy: -92.533
bonds (distance) P-C4' energy: -88.963
flat angles C4'-P-C4' energy: -105.556
flat angles P-C4'-P energy: -81.488
tors. eta vs tors. theta energy: -142.961
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: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1554.380936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.380936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.380936 (E_RNA)
where:
Base-Base interactions energy: -1052.654
where: short stacking energy: -477.729
Base-Backbone interact. energy: -2.865
local terms energy: -498.861660
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -102.984
flat angles C4'-P-C4' energy: -100.156
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -135.285
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: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1485.134638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.134638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.134638 (E_RNA)
where:
Base-Base interactions energy: -1035.500
where: short stacking energy: -459.965
Base-Backbone interact. energy: -0.275
local terms energy: -449.360054
where:
bonds (distance) C4'-P energy: -81.708
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -95.298
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -118.266
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: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1437.722219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.722219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.722219 (E_RNA)
where:
Base-Base interactions energy: -946.112
where: short stacking energy: -458.575
Base-Backbone interact. energy: 0.428
local terms energy: -492.038393
where:
bonds (distance) C4'-P energy: -92.108
bonds (distance) P-C4' energy: -91.328
flat angles C4'-P-C4' energy: -100.864
flat angles P-C4'-P energy: -75.410
tors. eta vs tors. theta energy: -132.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1306.990590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.990590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.990590 (E_RNA)
where:
Base-Base interactions energy: -883.613
where: short stacking energy: -410.959
Base-Backbone interact. energy: 0.872
local terms energy: -424.249378
where:
bonds (distance) C4'-P energy: -79.008
bonds (distance) P-C4' energy: -78.395
flat angles C4'-P-C4' energy: -90.804
flat angles P-C4'-P energy: -60.369
tors. eta vs tors. theta energy: -115.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1258.504197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.504197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.504197 (E_RNA)
where:
Base-Base interactions energy: -851.210
where: short stacking energy: -389.344
Base-Backbone interact. energy: 2.088
local terms energy: -409.382350
where:
bonds (distance) C4'-P energy: -77.074
bonds (distance) P-C4' energy: -72.591
flat angles C4'-P-C4' energy: -94.509
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -102.197
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: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1203.073137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.073137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.073137 (E_RNA)
where:
Base-Base interactions energy: -813.755
where: short stacking energy: -358.832
Base-Backbone interact. energy: -0.555
local terms energy: -388.763563
where:
bonds (distance) C4'-P energy: -69.160
bonds (distance) P-C4' energy: -72.497
flat angles C4'-P-C4' energy: -95.058
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -86.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1057.077057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.077057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.077057 (E_RNA)
where:
Base-Base interactions energy: -696.001
where: short stacking energy: -311.337
Base-Backbone interact. energy: -2.345
local terms energy: -358.730554
where:
bonds (distance) C4'-P energy: -73.212
bonds (distance) P-C4' energy: -75.662
flat angles C4'-P-C4' energy: -91.143
flat angles P-C4'-P energy: -53.028
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -721.808295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.808295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.808295 (E_RNA)
where:
Base-Base interactions energy: -423.602
where: short stacking energy: -210.751
Base-Backbone interact. energy: -1.350
local terms energy: -296.856354
where:
bonds (distance) C4'-P energy: -70.690
bonds (distance) P-C4' energy: -89.409
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -557.364106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.364106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.364106 (E_RNA)
where:
Base-Base interactions energy: -295.699
where: short stacking energy: -175.012
Base-Backbone interact. energy: 0.858
local terms energy: -262.522601
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -51.744
tors. eta vs tors. theta energy: -26.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1704.006345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.006345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.006345 (E_RNA)
where:
Base-Base interactions energy: -1196.914
where: short stacking energy: -530.779
Base-Backbone interact. energy: -1.561
local terms energy: -505.531253
where:
bonds (distance) C4'-P energy: -91.786
bonds (distance) P-C4' energy: -86.760
flat angles C4'-P-C4' energy: -102.644
flat angles P-C4'-P energy: -74.761
tors. eta vs tors. theta energy: -149.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1545.265155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.265155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.265155 (E_RNA)
where:
Base-Base interactions energy: -1064.308
where: short stacking energy: -470.775
Base-Backbone interact. energy: -0.093
local terms energy: -480.864447
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -89.900
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -131.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1488.496786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.496786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.496786 (E_RNA)
where:
Base-Base interactions energy: -1015.381
where: short stacking energy: -457.457
Base-Backbone interact. energy: 0.518
local terms energy: -473.633423
where:
bonds (distance) C4'-P energy: -78.273
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -97.389
flat angles P-C4'-P energy: -79.157
tors. eta vs tors. theta energy: -122.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1420.372932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.372932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.372932 (E_RNA)
where:
Base-Base interactions energy: -967.914
where: short stacking energy: -415.618
Base-Backbone interact. energy: 1.318
local terms energy: -453.776444
where:
bonds (distance) C4'-P energy: -90.220
bonds (distance) P-C4' energy: -88.163
flat angles C4'-P-C4' energy: -98.412
flat angles P-C4'-P energy: -59.025
tors. eta vs tors. theta energy: -117.957
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: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1319.322466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.322466 (E_RNA)
where:
Base-Base interactions energy: -895.538
where: short stacking energy: -397.717
Base-Backbone interact. energy: 2.662
local terms energy: -426.446525
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -72.519
flat angles C4'-P-C4' energy: -92.870
flat angles P-C4'-P energy: -62.335
tors. eta vs tors. theta energy: -116.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1245.677617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.677617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.677617 (E_RNA)
where:
Base-Base interactions energy: -879.205
where: short stacking energy: -380.255
Base-Backbone interact. energy: -0.203
local terms energy: -366.269128
where:
bonds (distance) C4'-P energy: -65.822
bonds (distance) P-C4' energy: -81.293
flat angles C4'-P-C4' energy: -88.576
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -85.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1242.934484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.934484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.934484 (E_RNA)
where:
Base-Base interactions energy: -843.801
where: short stacking energy: -392.704
Base-Backbone interact. energy: -1.219
local terms energy: -397.914420
where:
bonds (distance) C4'-P energy: -71.489
bonds (distance) P-C4' energy: -93.827
flat angles C4'-P-C4' energy: -82.829
flat angles P-C4'-P energy: -46.128
tors. eta vs tors. theta energy: -103.641
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1064.576285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.576285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.576285 (E_RNA)
where:
Base-Base interactions energy: -710.576
where: short stacking energy: -308.360
Base-Backbone interact. energy: 2.309
local terms energy: -356.309450
where:
bonds (distance) C4'-P energy: -73.848
bonds (distance) P-C4' energy: -77.083
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -79.599
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: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -751.551657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.551657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.551657 (E_RNA)
where:
Base-Base interactions energy: -433.901
where: short stacking energy: -215.491
Base-Backbone interact. energy: -0.881
local terms energy: -316.769052
where:
bonds (distance) C4'-P energy: -75.395
bonds (distance) P-C4' energy: -83.231
flat angles C4'-P-C4' energy: -79.281
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -36.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -552.011230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.011230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.011230 (E_RNA)
where:
Base-Base interactions energy: -301.582
where: short stacking energy: -185.779
Base-Backbone interact. energy: 2.235
local terms energy: -252.664115
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -77.301
flat angles C4'-P-C4' energy: -78.836
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1692.204282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.204282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.204282 (E_RNA)
where:
Base-Base interactions energy: -1170.918
where: short stacking energy: -526.434
Base-Backbone interact. energy: -1.963
local terms energy: -519.323111
where:
bonds (distance) C4'-P energy: -92.372
bonds (distance) P-C4' energy: -91.885
flat angles C4'-P-C4' energy: -105.702
flat angles P-C4'-P energy: -83.247
tors. eta vs tors. theta energy: -146.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1565.727704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.727704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.727704 (E_RNA)
where:
Base-Base interactions energy: -1096.940
where: short stacking energy: -471.700
Base-Backbone interact. energy: -4.974
local terms energy: -463.814090
where:
bonds (distance) C4'-P energy: -74.821
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -106.721
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -132.524
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: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1478.527130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.527130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.527130 (E_RNA)
where:
Base-Base interactions energy: -1010.095
where: short stacking energy: -444.737
Base-Backbone interact. energy: -3.359
local terms energy: -465.073861
where:
bonds (distance) C4'-P energy: -90.174
bonds (distance) P-C4' energy: -72.147
flat angles C4'-P-C4' energy: -102.836
flat angles P-C4'-P energy: -74.080
tors. eta vs tors. theta energy: -125.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1446.412287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.412287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.412287 (E_RNA)
where:
Base-Base interactions energy: -961.702
where: short stacking energy: -445.052
Base-Backbone interact. energy: -1.235
local terms energy: -483.475383
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -84.565
flat angles C4'-P-C4' energy: -106.439
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -131.303
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: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1350.732096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.732096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.732096 (E_RNA)
where:
Base-Base interactions energy: -921.789
where: short stacking energy: -386.825
Base-Backbone interact. energy: -2.128
local terms energy: -426.815023
where:
bonds (distance) C4'-P energy: -84.668
bonds (distance) P-C4' energy: -87.036
flat angles C4'-P-C4' energy: -107.809
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -88.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1299.756829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.756829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.756829 (E_RNA)
where:
Base-Base interactions energy: -886.689
where: short stacking energy: -388.655
Base-Backbone interact. energy: -0.994
local terms energy: -412.074469
where:
bonds (distance) C4'-P energy: -78.022
bonds (distance) P-C4' energy: -76.528
flat angles C4'-P-C4' energy: -85.921
flat angles P-C4'-P energy: -66.220
tors. eta vs tors. theta energy: -105.385
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: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1247.646174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.646174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.646174 (E_RNA)
where:
Base-Base interactions energy: -827.014
where: short stacking energy: -376.425
Base-Backbone interact. energy: 0.353
local terms energy: -420.985441
where:
bonds (distance) C4'-P energy: -80.741
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -92.531
flat angles P-C4'-P energy: -56.053
tors. eta vs tors. theta energy: -109.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1138.344495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.344495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.344495 (E_RNA)
where:
Base-Base interactions energy: -786.477
where: short stacking energy: -351.138
Base-Backbone interact. energy: -0.228
local terms energy: -351.639633
where:
bonds (distance) C4'-P energy: -67.440
bonds (distance) P-C4' energy: -75.256
flat angles C4'-P-C4' energy: -83.177
flat angles P-C4'-P energy: -45.285
tors. eta vs tors. theta energy: -80.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -739.712833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.712833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.712833 (E_RNA)
where:
Base-Base interactions energy: -417.805
where: short stacking energy: -215.225
Base-Backbone interact. energy: -1.053
local terms energy: -320.855521
where:
bonds (distance) C4'-P energy: -86.331
bonds (distance) P-C4' energy: -82.664
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -36.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -532.483162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.483162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.483162 (E_RNA)
where:
Base-Base interactions energy: -260.063
where: short stacking energy: -134.810
Base-Backbone interact. energy: -1.012
local terms energy: -271.408159
where:
bonds (distance) C4'-P energy: -71.721
bonds (distance) P-C4' energy: -76.064
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -54.107
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1697.429449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.429449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.429449 (E_RNA)
where:
Base-Base interactions energy: -1172.680
where: short stacking energy: -508.008
Base-Backbone interact. energy: -2.139
local terms energy: -522.611045
where:
bonds (distance) C4'-P energy: -97.006
bonds (distance) P-C4' energy: -94.757
flat angles C4'-P-C4' energy: -100.687
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -149.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1571.877309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.877309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.877309 (E_RNA)
where:
Base-Base interactions energy: -1076.878
where: short stacking energy: -478.431
Base-Backbone interact. energy: 0.062
local terms energy: -495.061232
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -95.494
flat angles C4'-P-C4' energy: -98.274
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -135.256
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1498.794319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.794319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.794319 (E_RNA)
where:
Base-Base interactions energy: -1042.772
where: short stacking energy: -450.028
Base-Backbone interact. energy: -0.444
local terms energy: -455.578455
where:
bonds (distance) C4'-P energy: -76.642
bonds (distance) P-C4' energy: -95.763
flat angles C4'-P-C4' energy: -103.252
flat angles P-C4'-P energy: -61.677
tors. eta vs tors. theta energy: -118.245
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: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1417.628947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.628947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.628947 (E_RNA)
where:
Base-Base interactions energy: -963.432
where: short stacking energy: -411.237
Base-Backbone interact. energy: 3.915
local terms energy: -458.112410
where:
bonds (distance) C4'-P energy: -86.543
bonds (distance) P-C4' energy: -92.109
flat angles C4'-P-C4' energy: -93.261
flat angles P-C4'-P energy: -64.070
tors. eta vs tors. theta energy: -122.130
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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1360.210005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.210005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.210005 (E_RNA)
where:
Base-Base interactions energy: -946.789
where: short stacking energy: -400.489
Base-Backbone interact. energy: -3.709
local terms energy: -409.711947
where:
bonds (distance) C4'-P energy: -78.323
bonds (distance) P-C4' energy: -85.839
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -98.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1294.301168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.301168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.301168 (E_RNA)
where:
Base-Base interactions energy: -874.875
where: short stacking energy: -399.388
Base-Backbone interact. energy: -0.482
local terms energy: -418.944390
where:
bonds (distance) C4'-P energy: -67.817
bonds (distance) P-C4' energy: -89.456
flat angles C4'-P-C4' energy: -97.118
flat angles P-C4'-P energy: -56.498
tors. eta vs tors. theta energy: -108.055
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1205.372685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.372685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.372685 (E_RNA)
where:
Base-Base interactions energy: -806.904
where: short stacking energy: -343.614
Base-Backbone interact. energy: -0.390
local terms energy: -398.078259
where:
bonds (distance) C4'-P energy: -79.359
bonds (distance) P-C4' energy: -89.197
flat angles C4'-P-C4' energy: -81.985
flat angles P-C4'-P energy: -51.768
tors. eta vs tors. theta energy: -95.770
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: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1109.087469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.087469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.087469 (E_RNA)
where:
Base-Base interactions energy: -733.992
where: short stacking energy: -334.386
Base-Backbone interact. energy: -0.969
local terms energy: -374.126273
where:
bonds (distance) C4'-P energy: -81.910
bonds (distance) P-C4' energy: -78.234
flat angles C4'-P-C4' energy: -85.819
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -84.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -751.404267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.404267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.404267 (E_RNA)
where:
Base-Base interactions energy: -468.481
where: short stacking energy: -258.738
Base-Backbone interact. energy: 1.951
local terms energy: -284.874135
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -77.332
flat angles C4'-P-C4' energy: -74.063
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -27.154
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: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -508.203530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.203530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.203530 (E_RNA)
where:
Base-Base interactions energy: -258.032
where: short stacking energy: -160.591
Base-Backbone interact. energy: 3.442
local terms energy: -253.612924
where:
bonds (distance) C4'-P energy: -78.952
bonds (distance) P-C4' energy: -82.592
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -3.830
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1695.898781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.898781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.898781 (E_RNA)
where:
Base-Base interactions energy: -1189.707
where: short stacking energy: -520.538
Base-Backbone interact. energy: -2.233
local terms energy: -503.957983
where:
bonds (distance) C4'-P energy: -89.692
bonds (distance) P-C4' energy: -88.858
flat angles C4'-P-C4' energy: -105.471
flat angles P-C4'-P energy: -75.257
tors. eta vs tors. theta energy: -144.678
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: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1581.110182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.110182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.110182 (E_RNA)
where:
Base-Base interactions energy: -1091.484
where: short stacking energy: -487.258
Base-Backbone interact. energy: -0.833
local terms energy: -488.793146
where:
bonds (distance) C4'-P energy: -89.966
bonds (distance) P-C4' energy: -82.745
flat angles C4'-P-C4' energy: -106.310
flat angles P-C4'-P energy: -76.289
tors. eta vs tors. theta energy: -133.483
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: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1481.868916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.868916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.868916 (E_RNA)
where:
Base-Base interactions energy: -1035.735
where: short stacking energy: -467.632
Base-Backbone interact. energy: -0.750
local terms energy: -445.384549
where:
bonds (distance) C4'-P energy: -71.732
bonds (distance) P-C4' energy: -81.771
flat angles C4'-P-C4' energy: -104.893
flat angles P-C4'-P energy: -60.995
tors. eta vs tors. theta energy: -125.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1381.185410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.185410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.185410 (E_RNA)
where:
Base-Base interactions energy: -910.393
where: short stacking energy: -435.066
Base-Backbone interact. energy: 0.656
local terms energy: -471.448312
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -83.997
flat angles C4'-P-C4' energy: -104.587
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -129.782
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: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1356.987547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.987547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.987547 (E_RNA)
where:
Base-Base interactions energy: -928.388
where: short stacking energy: -400.415
Base-Backbone interact. energy: -1.174
local terms energy: -427.425657
where:
bonds (distance) C4'-P energy: -89.098
bonds (distance) P-C4' energy: -82.537
flat angles C4'-P-C4' energy: -93.567
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -100.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1344.736349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.736349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.736349 (E_RNA)
where:
Base-Base interactions energy: -919.992
where: short stacking energy: -387.479
Base-Backbone interact. energy: -1.912
local terms energy: -422.831833
where:
bonds (distance) C4'-P energy: -85.838
bonds (distance) P-C4' energy: -89.172
flat angles C4'-P-C4' energy: -91.762
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -103.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1199.067819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.067819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.067819 (E_RNA)
where:
Base-Base interactions energy: -822.218
where: short stacking energy: -354.133
Base-Backbone interact. energy: 4.724
local terms energy: -381.573780
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -81.863
flat angles C4'-P-C4' energy: -80.888
flat angles P-C4'-P energy: -56.612
tors. eta vs tors. theta energy: -92.982
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: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1180.867856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.867856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.867856 (E_RNA)
where:
Base-Base interactions energy: -807.320
where: short stacking energy: -352.681
Base-Backbone interact. energy: -1.521
local terms energy: -372.026605
where:
bonds (distance) C4'-P energy: -80.296
bonds (distance) P-C4' energy: -79.328
flat angles C4'-P-C4' energy: -76.010
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -90.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -742.159855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.159855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.159855 (E_RNA)
where:
Base-Base interactions energy: -435.372
where: short stacking energy: -229.054
Base-Backbone interact. energy: -0.696
local terms energy: -306.092272
where:
bonds (distance) C4'-P energy: -69.310
bonds (distance) P-C4' energy: -79.561
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -47.672
tors. eta vs tors. theta energy: -30.831
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: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -478.490534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.490534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.490534 (E_RNA)
where:
Base-Base interactions energy: -239.636
where: short stacking energy: -149.072
Base-Backbone interact. energy: 0.552
local terms energy: -239.405828
where:
bonds (distance) C4'-P energy: -75.041
bonds (distance) P-C4' energy: -67.247
flat angles C4'-P-C4' energy: -69.916
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1689.880025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.880025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.880025 (E_RNA)
where:
Base-Base interactions energy: -1165.786
where: short stacking energy: -489.169
Base-Backbone interact. energy: 1.126
local terms energy: -525.219481
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -109.588
flat angles P-C4'-P energy: -81.312
tors. eta vs tors. theta energy: -145.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1572.410808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.410808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.410808 (E_RNA)
where:
Base-Base interactions energy: -1074.416
where: short stacking energy: -456.208
Base-Backbone interact. energy: 1.873
local terms energy: -499.867314
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -99.461
flat angles C4'-P-C4' energy: -107.629
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -128.715
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: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1467.607568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.607568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.607568 (E_RNA)
where:
Base-Base interactions energy: -1007.701
where: short stacking energy: -456.750
Base-Backbone interact. energy: 0.162
local terms energy: -460.069113
where:
bonds (distance) C4'-P energy: -83.811
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -103.059
flat angles P-C4'-P energy: -64.877
tors. eta vs tors. theta energy: -128.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1387.740764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.740764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.740764 (E_RNA)
where:
Base-Base interactions energy: -969.184
where: short stacking energy: -407.389
Base-Backbone interact. energy: -0.938
local terms energy: -417.619295
where:
bonds (distance) C4'-P energy: -84.916
bonds (distance) P-C4' energy: -80.294
flat angles C4'-P-C4' energy: -103.494
flat angles P-C4'-P energy: -60.074
tors. eta vs tors. theta energy: -88.841
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: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1348.687652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.687652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.687652 (E_RNA)
where:
Base-Base interactions energy: -912.302
where: short stacking energy: -398.648
Base-Backbone interact. energy: -2.554
local terms energy: -433.831354
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -88.171
flat angles C4'-P-C4' energy: -93.138
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -112.898
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: 469
Temperature: 1.150000
Total energy: -1286.200662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.200662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.200662 (E_RNA)
where:
Base-Base interactions energy: -873.512
where: short stacking energy: -380.305
Base-Backbone interact. energy: -3.944
local terms energy: -408.744480
where:
bonds (distance) C4'-P energy: -77.914
bonds (distance) P-C4' energy: -80.939
flat angles C4'-P-C4' energy: -89.735
flat angles P-C4'-P energy: -56.761
tors. eta vs tors. theta energy: -103.395
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: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1187.218014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.218014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.218014 (E_RNA)
where:
Base-Base interactions energy: -778.594
where: short stacking energy: -343.514
Base-Backbone interact. energy: 0.127
local terms energy: -408.751559
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -80.698
flat angles C4'-P-C4' energy: -84.862
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -88.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1215.700517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.700517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.700517 (E_RNA)
where:
Base-Base interactions energy: -838.706
where: short stacking energy: -368.872
Base-Backbone interact. energy: -0.356
local terms energy: -376.639011
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -60.296
flat angles C4'-P-C4' energy: -87.403
flat angles P-C4'-P energy: -60.024
tors. eta vs tors. theta energy: -96.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -689.610297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.610297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.610297 (E_RNA)
where:
Base-Base interactions energy: -393.904
where: short stacking energy: -198.061
Base-Backbone interact. energy: 4.214
local terms energy: -299.920565
where:
bonds (distance) C4'-P energy: -69.197
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -71.491
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -511.272175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.272175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.272175 (E_RNA)
where:
Base-Base interactions energy: -256.963
where: short stacking energy: -166.409
Base-Backbone interact. energy: -2.013
local terms energy: -252.296593
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -64.682
flat angles P-C4'-P energy: -51.641
tors. eta vs tors. theta energy: 6.034
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: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1674.900692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.900692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.900692 (E_RNA)
where:
Base-Base interactions energy: -1173.916
where: short stacking energy: -503.520
Base-Backbone interact. energy: -2.360
local terms energy: -498.624920
where:
bonds (distance) C4'-P energy: -88.495
bonds (distance) P-C4' energy: -91.939
flat angles C4'-P-C4' energy: -103.191
flat angles P-C4'-P energy: -74.336
tors. eta vs tors. theta energy: -140.664
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: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1551.656961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.656961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.656961 (E_RNA)
where:
Base-Base interactions energy: -1077.425
where: short stacking energy: -451.595
Base-Backbone interact. energy: -2.473
local terms energy: -471.758073
where:
bonds (distance) C4'-P energy: -89.993
bonds (distance) P-C4' energy: -89.385
flat angles C4'-P-C4' energy: -97.042
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -127.689
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: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1468.736523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.736523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.736523 (E_RNA)
where:
Base-Base interactions energy: -1001.158
where: short stacking energy: -463.991
Base-Backbone interact. energy: -1.957
local terms energy: -465.621352
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -87.055
flat angles C4'-P-C4' energy: -95.716
flat angles P-C4'-P energy: -60.140
tors. eta vs tors. theta energy: -132.965
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: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1400.506435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.506435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.506435 (E_RNA)
where:
Base-Base interactions energy: -966.083
where: short stacking energy: -421.419
Base-Backbone interact. energy: 1.256
local terms energy: -435.679671
where:
bonds (distance) C4'-P energy: -87.178
bonds (distance) P-C4' energy: -92.321
flat angles C4'-P-C4' energy: -93.851
flat angles P-C4'-P energy: -58.413
tors. eta vs tors. theta energy: -103.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1329.440931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.440931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.440931 (E_RNA)
where:
Base-Base interactions energy: -904.421
where: short stacking energy: -403.052
Base-Backbone interact. energy: -1.050
local terms energy: -423.969642
where:
bonds (distance) C4'-P energy: -89.052
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -89.078
flat angles P-C4'-P energy: -68.815
tors. eta vs tors. theta energy: -99.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1291.568956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.568956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.568956 (E_RNA)
where:
Base-Base interactions energy: -870.051
where: short stacking energy: -389.152
Base-Backbone interact. energy: -1.702
local terms energy: -419.815542
where:
bonds (distance) C4'-P energy: -75.901
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -98.818
flat angles P-C4'-P energy: -53.320
tors. eta vs tors. theta energy: -113.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1225.084587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.084587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.084587 (E_RNA)
where:
Base-Base interactions energy: -848.831
where: short stacking energy: -379.686
Base-Backbone interact. energy: 0.669
local terms energy: -376.922306
where:
bonds (distance) C4'-P energy: -65.821
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -74.066
flat angles P-C4'-P energy: -52.621
tors. eta vs tors. theta energy: -91.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1196.943133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.943133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.943133 (E_RNA)
where:
Base-Base interactions energy: -829.152
where: short stacking energy: -374.074
Base-Backbone interact. energy: 0.912
local terms energy: -368.703723
where:
bonds (distance) C4'-P energy: -74.106
bonds (distance) P-C4' energy: -67.906
flat angles C4'-P-C4' energy: -78.648
flat angles P-C4'-P energy: -64.514
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: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -710.589065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.589065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.589065 (E_RNA)
where:
Base-Base interactions energy: -434.183
where: short stacking energy: -211.876
Base-Backbone interact. energy: 1.347
local terms energy: -277.752525
where:
bonds (distance) C4'-P energy: -70.414
bonds (distance) P-C4' energy: -71.253
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -42.433
tors. eta vs tors. theta energy: -35.411
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: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -548.185938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.185938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.185938 (E_RNA)
where:
Base-Base interactions energy: -296.381
where: short stacking energy: -167.365
Base-Backbone interact. energy: 2.595
local terms energy: -254.399112
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -77.026
flat angles C4'-P-C4' energy: -67.052
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1686.531739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.531739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.531739 (E_RNA)
where:
Base-Base interactions energy: -1194.024
where: short stacking energy: -505.574
Base-Backbone interact. energy: 0.752
local terms energy: -493.259464
where:
bonds (distance) C4'-P energy: -88.771
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -102.749
flat angles P-C4'-P energy: -67.689
tors. eta vs tors. theta energy: -140.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1509.194685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.194685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.194685 (E_RNA)
where:
Base-Base interactions energy: -1024.569
where: short stacking energy: -447.751
Base-Backbone interact. energy: -3.868
local terms energy: -480.758481
where:
bonds (distance) C4'-P energy: -92.998
bonds (distance) P-C4' energy: -98.923
flat angles C4'-P-C4' energy: -99.449
flat angles P-C4'-P energy: -64.023
tors. eta vs tors. theta energy: -125.365
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: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1528.651694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.651694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.651694 (E_RNA)
where:
Base-Base interactions energy: -1074.387
where: short stacking energy: -453.080
Base-Backbone interact. energy: -1.192
local terms energy: -453.072513
where:
bonds (distance) C4'-P energy: -85.059
bonds (distance) P-C4' energy: -81.239
flat angles C4'-P-C4' energy: -94.227
flat angles P-C4'-P energy: -69.215
tors. eta vs tors. theta energy: -123.332
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: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1416.431816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.431816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.431816 (E_RNA)
where:
Base-Base interactions energy: -958.921
where: short stacking energy: -395.746
Base-Backbone interact. energy: -1.579
local terms energy: -455.931938
where:
bonds (distance) C4'-P energy: -105.373
bonds (distance) P-C4' energy: -87.465
flat angles C4'-P-C4' energy: -97.015
flat angles P-C4'-P energy: -62.650
tors. eta vs tors. theta energy: -103.429
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: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1341.907434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.907434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.907434 (E_RNA)
where:
Base-Base interactions energy: -937.288
where: short stacking energy: -398.386
Base-Backbone interact. energy: 0.561
local terms energy: -405.180288
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -78.434
flat angles C4'-P-C4' energy: -89.138
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1290.816636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.816636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.816636 (E_RNA)
where:
Base-Base interactions energy: -871.764
where: short stacking energy: -413.733
Base-Backbone interact. energy: -0.418
local terms energy: -418.634569
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -69.247
flat angles C4'-P-C4' energy: -97.018
flat angles P-C4'-P energy: -61.053
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: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1203.681310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.681310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.681310 (E_RNA)
where:
Base-Base interactions energy: -820.038
where: short stacking energy: -349.140
Base-Backbone interact. energy: -3.819
local terms energy: -379.823978
where:
bonds (distance) C4'-P energy: -84.698
bonds (distance) P-C4' energy: -74.629
flat angles C4'-P-C4' energy: -78.871
flat angles P-C4'-P energy: -58.609
tors. eta vs tors. theta energy: -83.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1198.131281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.131281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.131281 (E_RNA)
where:
Base-Base interactions energy: -827.793
where: short stacking energy: -366.517
Base-Backbone interact. energy: -2.192
local terms energy: -368.146897
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -79.103
flat angles C4'-P-C4' energy: -73.176
flat angles P-C4'-P energy: -65.962
tors. eta vs tors. theta energy: -96.188
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -706.974209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.974209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.974209 (E_RNA)
where:
Base-Base interactions energy: -415.130
where: short stacking energy: -216.080
Base-Backbone interact. energy: 1.210
local terms energy: -293.054003
where:
bonds (distance) C4'-P energy: -58.180
bonds (distance) P-C4' energy: -83.868
flat angles C4'-P-C4' energy: -79.650
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -531.481695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.481695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.481695 (E_RNA)
where:
Base-Base interactions energy: -269.385
where: short stacking energy: -149.058
Base-Backbone interact. energy: -0.031
local terms energy: -262.066238
where:
bonds (distance) C4'-P energy: -78.931
bonds (distance) P-C4' energy: -74.775
flat angles C4'-P-C4' energy: -74.118
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1688.616327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.616327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.616327 (E_RNA)
where:
Base-Base interactions energy: -1185.180
where: short stacking energy: -528.118
Base-Backbone interact. energy: -2.337
local terms energy: -501.098873
where:
bonds (distance) C4'-P energy: -86.566
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -102.115
flat angles P-C4'-P energy: -71.785
tors. eta vs tors. theta energy: -145.558
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1489.250896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.250896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.250896 (E_RNA)
where:
Base-Base interactions energy: -1020.837
where: short stacking energy: -467.360
Base-Backbone interact. energy: -1.534
local terms energy: -466.878986
where:
bonds (distance) C4'-P energy: -86.100
bonds (distance) P-C4' energy: -86.963
flat angles C4'-P-C4' energy: -101.243
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: -123.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1530.032712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.032712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.032712 (E_RNA)
where:
Base-Base interactions energy: -1051.845
where: short stacking energy: -440.205
Base-Backbone interact. energy: -1.838
local terms energy: -476.348804
where:
bonds (distance) C4'-P energy: -92.881
bonds (distance) P-C4' energy: -87.168
flat angles C4'-P-C4' energy: -100.713
flat angles P-C4'-P energy: -63.414
tors. eta vs tors. theta energy: -132.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1435.474751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.474751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.474751 (E_RNA)
where:
Base-Base interactions energy: -991.674
where: short stacking energy: -417.749
Base-Backbone interact. energy: -2.187
local terms energy: -441.613313
where:
bonds (distance) C4'-P energy: -78.805
bonds (distance) P-C4' energy: -85.607
flat angles C4'-P-C4' energy: -95.217
flat angles P-C4'-P energy: -69.468
tors. eta vs tors. theta energy: -112.516
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: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1332.690721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.690721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.690721 (E_RNA)
where:
Base-Base interactions energy: -901.580
where: short stacking energy: -395.021
Base-Backbone interact. energy: -0.548
local terms energy: -430.562889
where:
bonds (distance) C4'-P energy: -85.115
bonds (distance) P-C4' energy: -86.196
flat angles C4'-P-C4' energy: -89.559
flat angles P-C4'-P energy: -63.552
tors. eta vs tors. theta energy: -106.140
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: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1295.788060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.788060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.788060 (E_RNA)
where:
Base-Base interactions energy: -890.790
where: short stacking energy: -382.249
Base-Backbone interact. energy: 0.953
local terms energy: -405.950633
where:
bonds (distance) C4'-P energy: -73.420
bonds (distance) P-C4' energy: -79.190
flat angles C4'-P-C4' energy: -94.199
flat angles P-C4'-P energy: -65.818
tors. eta vs tors. theta energy: -93.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1208.726626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.726626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.726626 (E_RNA)
where:
Base-Base interactions energy: -813.079
where: short stacking energy: -374.528
Base-Backbone interact. energy: 1.735
local terms energy: -397.382442
where:
bonds (distance) C4'-P energy: -74.676
bonds (distance) P-C4' energy: -83.859
flat angles C4'-P-C4' energy: -88.844
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -97.454
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: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1157.976072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.976072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.976072 (E_RNA)
where:
Base-Base interactions energy: -777.767
where: short stacking energy: -362.358
Base-Backbone interact. energy: 0.982
local terms energy: -381.191732
where:
bonds (distance) C4'-P energy: -69.814
bonds (distance) P-C4' energy: -77.978
flat angles C4'-P-C4' energy: -78.120
flat angles P-C4'-P energy: -54.440
tors. eta vs tors. theta energy: -100.839
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: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -769.884984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.884984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.884984 (E_RNA)
where:
Base-Base interactions energy: -478.562
where: short stacking energy: -232.077
Base-Backbone interact. energy: 7.445
local terms energy: -298.768373
where:
bonds (distance) C4'-P energy: -71.702
bonds (distance) P-C4' energy: -81.465
flat angles C4'-P-C4' energy: -77.788
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -21.766
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: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -498.500007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.500007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.500007 (E_RNA)
where:
Base-Base interactions energy: -259.435
where: short stacking energy: -160.619
Base-Backbone interact. energy: 5.501
local terms energy: -244.565643
where:
bonds (distance) C4'-P energy: -81.232
bonds (distance) P-C4' energy: -73.146
flat angles C4'-P-C4' energy: -70.292
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1692.792926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.792926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.792926 (E_RNA)
where:
Base-Base interactions energy: -1177.943
where: short stacking energy: -503.916
Base-Backbone interact. energy: -2.402
local terms energy: -512.448372
where:
bonds (distance) C4'-P energy: -102.919
bonds (distance) P-C4' energy: -88.008
flat angles C4'-P-C4' energy: -103.878
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -140.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1510.533094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.533094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.533094 (E_RNA)
where:
Base-Base interactions energy: -1037.609
where: short stacking energy: -457.962
Base-Backbone interact. energy: -0.931
local terms energy: -471.993093
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -93.226
flat angles C4'-P-C4' energy: -100.168
flat angles P-C4'-P energy: -71.425
tors. eta vs tors. theta energy: -121.288
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: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1492.238147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.238147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.238147 (E_RNA)
where:
Base-Base interactions energy: -1031.745
where: short stacking energy: -439.957
Base-Backbone interact. energy: -0.380
local terms energy: -460.113550
where:
bonds (distance) C4'-P energy: -78.259
bonds (distance) P-C4' energy: -81.960
flat angles C4'-P-C4' energy: -104.944
flat angles P-C4'-P energy: -73.179
tors. eta vs tors. theta energy: -121.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1377.553571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.553571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.553571 (E_RNA)
where:
Base-Base interactions energy: -944.273
where: short stacking energy: -405.509
Base-Backbone interact. energy: -2.520
local terms energy: -430.761392
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -98.405
flat angles P-C4'-P energy: -66.478
tors. eta vs tors. theta energy: -104.048
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: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1378.062245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.062245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.062245 (E_RNA)
where:
Base-Base interactions energy: -918.099
where: short stacking energy: -426.252
Base-Backbone interact. energy: -1.077
local terms energy: -458.886603
where:
bonds (distance) C4'-P energy: -85.160
bonds (distance) P-C4' energy: -89.707
flat angles C4'-P-C4' energy: -94.748
flat angles P-C4'-P energy: -59.608
tors. eta vs tors. theta energy: -129.664
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1262.482069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.482069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.482069 (E_RNA)
where:
Base-Base interactions energy: -873.789
where: short stacking energy: -372.868
Base-Backbone interact. energy: 0.237
local terms energy: -388.929442
where:
bonds (distance) C4'-P energy: -83.201
bonds (distance) P-C4' energy: -84.192
flat angles C4'-P-C4' energy: -71.090
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -97.507
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1233.312006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.312006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.312006 (E_RNA)
where:
Base-Base interactions energy: -841.548
where: short stacking energy: -357.156
Base-Backbone interact. energy: -1.913
local terms energy: -389.851432
where:
bonds (distance) C4'-P energy: -72.726
bonds (distance) P-C4' energy: -83.255
flat angles C4'-P-C4' energy: -85.152
flat angles P-C4'-P energy: -64.291
tors. eta vs tors. theta energy: -84.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1139.185115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.185115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.185115 (E_RNA)
where:
Base-Base interactions energy: -768.298
where: short stacking energy: -337.182
Base-Backbone interact. energy: -2.276
local terms energy: -368.611178
where:
bonds (distance) C4'-P energy: -79.359
bonds (distance) P-C4' energy: -80.244
flat angles C4'-P-C4' energy: -84.509
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -77.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -761.208694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.208694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.208694 (E_RNA)
where:
Base-Base interactions energy: -466.943
where: short stacking energy: -243.555
Base-Backbone interact. energy: -0.103
local terms energy: -294.162502
where:
bonds (distance) C4'-P energy: -72.078
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -75.027
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -24.975
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: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -505.858487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.858487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.858487 (E_RNA)
where:
Base-Base interactions energy: -260.676
where: short stacking energy: -147.529
Base-Backbone interact. energy: -1.099
local terms energy: -244.083292
where:
bonds (distance) C4'-P energy: -75.544
bonds (distance) P-C4' energy: -80.754
flat angles C4'-P-C4' energy: -60.705
flat angles P-C4'-P energy: -30.515
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1686.908507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.908507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.908507 (E_RNA)
where:
Base-Base interactions energy: -1178.296
where: short stacking energy: -511.317
Base-Backbone interact. energy: -0.901
local terms energy: -507.710843
where:
bonds (distance) C4'-P energy: -89.134
bonds (distance) P-C4' energy: -92.961
flat angles C4'-P-C4' energy: -105.943
flat angles P-C4'-P energy: -76.311
tors. eta vs tors. theta energy: -143.362
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1524.570740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.570740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.570740 (E_RNA)
where:
Base-Base interactions energy: -1041.976
where: short stacking energy: -461.024
Base-Backbone interact. energy: -4.115
local terms energy: -478.479652
where:
bonds (distance) C4'-P energy: -85.079
bonds (distance) P-C4' energy: -94.226
flat angles C4'-P-C4' energy: -101.068
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -131.929
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: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1514.562908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.562908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.562908 (E_RNA)
where:
Base-Base interactions energy: -1047.285
where: short stacking energy: -454.463
Base-Backbone interact. energy: -2.977
local terms energy: -464.300703
where:
bonds (distance) C4'-P energy: -83.287
bonds (distance) P-C4' energy: -86.499
flat angles C4'-P-C4' energy: -97.986
flat angles P-C4'-P energy: -63.295
tors. eta vs tors. theta energy: -133.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1429.266800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.266800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.266800 (E_RNA)
where:
Base-Base interactions energy: -980.015
where: short stacking energy: -432.978
Base-Backbone interact. energy: -0.476
local terms energy: -448.776559
where:
bonds (distance) C4'-P energy: -78.785
bonds (distance) P-C4' energy: -84.059
flat angles C4'-P-C4' energy: -95.531
flat angles P-C4'-P energy: -68.777
tors. eta vs tors. theta energy: -121.623
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: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1378.744632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.744632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.744632 (E_RNA)
where:
Base-Base interactions energy: -943.593
where: short stacking energy: -449.486
Base-Backbone interact. energy: -2.279
local terms energy: -432.872197
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -91.208
flat angles C4'-P-C4' energy: -90.135
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -120.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1252.897711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.897711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.897711 (E_RNA)
where:
Base-Base interactions energy: -882.247
where: short stacking energy: -381.132
Base-Backbone interact. energy: 1.113
local terms energy: -371.764098
where:
bonds (distance) C4'-P energy: -65.883
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -82.592
flat angles P-C4'-P energy: -48.568
tors. eta vs tors. theta energy: -98.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1280.152021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.152021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.152021 (E_RNA)
where:
Base-Base interactions energy: -898.134
where: short stacking energy: -352.553
Base-Backbone interact. energy: 0.216
local terms energy: -382.233633
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -91.465
flat angles P-C4'-P energy: -55.695
tors. eta vs tors. theta energy: -81.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1190.154831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.154831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.154831 (E_RNA)
where:
Base-Base interactions energy: -804.438
where: short stacking energy: -346.419
Base-Backbone interact. energy: -0.252
local terms energy: -385.465125
where:
bonds (distance) C4'-P energy: -60.580
bonds (distance) P-C4' energy: -79.777
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -63.178
tors. eta vs tors. theta energy: -93.840
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: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -768.344474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.344474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.344474 (E_RNA)
where:
Base-Base interactions energy: -460.066
where: short stacking energy: -243.738
Base-Backbone interact. energy: 3.971
local terms energy: -312.249144
where:
bonds (distance) C4'-P energy: -86.071
bonds (distance) P-C4' energy: -78.628
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -28.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -474.646874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.646874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.646874 (E_RNA)
where:
Base-Base interactions energy: -220.145
where: short stacking energy: -136.763
Base-Backbone interact. energy: 7.107
local terms energy: -261.609252
where:
bonds (distance) C4'-P energy: -74.582
bonds (distance) P-C4' energy: -70.790
flat angles C4'-P-C4' energy: -67.316
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1712.124811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.124811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.124811 (E_RNA)
where:
Base-Base interactions energy: -1183.793
where: short stacking energy: -521.221
Base-Backbone interact. energy: 9.026
local terms energy: -537.357707
where:
bonds (distance) C4'-P energy: -97.287
bonds (distance) P-C4' energy: -104.763
flat angles C4'-P-C4' energy: -103.394
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -148.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1526.468549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.468549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.468549 (E_RNA)
where:
Base-Base interactions energy: -1047.190
where: short stacking energy: -466.038
Base-Backbone interact. energy: 0.615
local terms energy: -479.893151
where:
bonds (distance) C4'-P energy: -87.715
bonds (distance) P-C4' energy: -98.480
flat angles C4'-P-C4' energy: -101.636
flat angles P-C4'-P energy: -64.428
tors. eta vs tors. theta energy: -127.634
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: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1510.933533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.933533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.933533 (E_RNA)
where:
Base-Base interactions energy: -1028.809
where: short stacking energy: -429.035
Base-Backbone interact. energy: 2.264
local terms energy: -484.388766
where:
bonds (distance) C4'-P energy: -86.909
bonds (distance) P-C4' energy: -95.046
flat angles C4'-P-C4' energy: -97.835
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -134.431
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: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1411.265735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.265735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.265735 (E_RNA)
where:
Base-Base interactions energy: -983.796
where: short stacking energy: -427.864
Base-Backbone interact. energy: -1.209
local terms energy: -426.260785
where:
bonds (distance) C4'-P energy: -85.111
bonds (distance) P-C4' energy: -75.509
flat angles C4'-P-C4' energy: -97.021
flat angles P-C4'-P energy: -53.708
tors. eta vs tors. theta energy: -114.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1386.314740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.314740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.314740 (E_RNA)
where:
Base-Base interactions energy: -961.338
where: short stacking energy: -431.035
Base-Backbone interact. energy: 2.530
local terms energy: -427.506737
where:
bonds (distance) C4'-P energy: -80.415
bonds (distance) P-C4' energy: -86.045
flat angles C4'-P-C4' energy: -89.056
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -121.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1304.747384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.747384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.747384 (E_RNA)
where:
Base-Base interactions energy: -901.173
where: short stacking energy: -393.883
Base-Backbone interact. energy: -1.210
local terms energy: -402.364442
where:
bonds (distance) C4'-P energy: -73.059
bonds (distance) P-C4' energy: -83.782
flat angles C4'-P-C4' energy: -93.116
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: -109.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1204.540893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.540893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.540893 (E_RNA)
where:
Base-Base interactions energy: -828.645
where: short stacking energy: -373.871
Base-Backbone interact. energy: -0.997
local terms energy: -374.898635
where:
bonds (distance) C4'-P energy: -68.396
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -67.262
tors. eta vs tors. theta energy: -90.961
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: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1252.982097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.982097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.982097 (E_RNA)
where:
Base-Base interactions energy: -848.411
where: short stacking energy: -368.248
Base-Backbone interact. energy: -0.916
local terms energy: -403.654998
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -84.772
flat angles P-C4'-P energy: -58.463
tors. eta vs tors. theta energy: -90.837
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -726.449816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.449816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.449816 (E_RNA)
where:
Base-Base interactions energy: -421.839
where: short stacking energy: -201.183
Base-Backbone interact. energy: 2.512
local terms energy: -307.123356
where:
bonds (distance) C4'-P energy: -65.108
bonds (distance) P-C4' energy: -86.370
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -38.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -509.648855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.648855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.648855 (E_RNA)
where:
Base-Base interactions energy: -227.907
where: short stacking energy: -153.435
Base-Backbone interact. energy: -2.670
local terms energy: -279.072037
where:
bonds (distance) C4'-P energy: -79.814
bonds (distance) P-C4' energy: -86.194
flat angles C4'-P-C4' energy: -79.720
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1698.521892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.521892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.521892 (E_RNA)
where:
Base-Base interactions energy: -1205.451
where: short stacking energy: -536.764
Base-Backbone interact. energy: -6.158
local terms energy: -486.912528
where:
bonds (distance) C4'-P energy: -87.601
bonds (distance) P-C4' energy: -88.726
flat angles C4'-P-C4' energy: -98.619
flat angles P-C4'-P energy: -71.223
tors. eta vs tors. theta energy: -140.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1532.513319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.513319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.513319 (E_RNA)
where:
Base-Base interactions energy: -1072.657
where: short stacking energy: -478.293
Base-Backbone interact. energy: -1.207
local terms energy: -458.648689
where:
bonds (distance) C4'-P energy: -85.216
bonds (distance) P-C4' energy: -78.692
flat angles C4'-P-C4' energy: -97.860
flat angles P-C4'-P energy: -68.245
tors. eta vs tors. theta energy: -128.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1513.088261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.088261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.088261 (E_RNA)
where:
Base-Base interactions energy: -1044.681
where: short stacking energy: -450.233
Base-Backbone interact. energy: -3.441
local terms energy: -464.966171
where:
bonds (distance) C4'-P energy: -87.376
bonds (distance) P-C4' energy: -92.140
flat angles C4'-P-C4' energy: -99.527
flat angles P-C4'-P energy: -58.412
tors. eta vs tors. theta energy: -127.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1416.261872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.261872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.261872 (E_RNA)
where:
Base-Base interactions energy: -965.408
where: short stacking energy: -444.948
Base-Backbone interact. energy: -0.951
local terms energy: -449.902625
where:
bonds (distance) C4'-P energy: -84.125
bonds (distance) P-C4' energy: -82.926
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -57.126
tors. eta vs tors. theta energy: -123.387
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: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1369.091063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.091063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.091063 (E_RNA)
where:
Base-Base interactions energy: -942.512
where: short stacking energy: -414.827
Base-Backbone interact. energy: -1.424
local terms energy: -425.155625
where:
bonds (distance) C4'-P energy: -66.764
bonds (distance) P-C4' energy: -81.266
flat angles C4'-P-C4' energy: -93.900
flat angles P-C4'-P energy: -65.371
tors. eta vs tors. theta energy: -117.855
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1292.750953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.750953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.750953 (E_RNA)
where:
Base-Base interactions energy: -902.960
where: short stacking energy: -386.837
Base-Backbone interact. energy: 3.241
local terms energy: -393.031606
where:
bonds (distance) C4'-P energy: -80.566
bonds (distance) P-C4' energy: -80.030
flat angles C4'-P-C4' energy: -80.362
flat angles P-C4'-P energy: -64.220
tors. eta vs tors. theta energy: -87.854
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: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1278.369747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.369747 (E_RNA)
where:
Base-Base interactions energy: -886.835
where: short stacking energy: -396.242
Base-Backbone interact. energy: -3.490
local terms energy: -388.044453
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -65.038
flat angles C4'-P-C4' energy: -91.167
flat angles P-C4'-P energy: -58.874
tors. eta vs tors. theta energy: -98.502
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: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1140.750938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.750938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.750938 (E_RNA)
where:
Base-Base interactions energy: -799.420
where: short stacking energy: -331.661
Base-Backbone interact. energy: 2.741
local terms energy: -344.072605
where:
bonds (distance) C4'-P energy: -59.296
bonds (distance) P-C4' energy: -57.587
flat angles C4'-P-C4' energy: -91.513
flat angles P-C4'-P energy: -51.438
tors. eta vs tors. theta energy: -84.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -730.682950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.682950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.682950 (E_RNA)
where:
Base-Base interactions energy: -413.906
where: short stacking energy: -204.984
Base-Backbone interact. energy: 2.329
local terms energy: -319.105800
where:
bonds (distance) C4'-P energy: -72.938
bonds (distance) P-C4' energy: -88.847
flat angles C4'-P-C4' energy: -78.670
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -27.971
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: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -483.150036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.150036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.150036 (E_RNA)
where:
Base-Base interactions energy: -224.392
where: short stacking energy: -132.826
Base-Backbone interact. energy: -2.974
local terms energy: -255.783374
where:
bonds (distance) C4'-P energy: -71.932
bonds (distance) P-C4' energy: -87.394
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: 5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1700.013805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.013805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.013805 (E_RNA)
where:
Base-Base interactions energy: -1176.096
where: short stacking energy: -508.412
Base-Backbone interact. energy: -0.770
local terms energy: -523.148133
where:
bonds (distance) C4'-P energy: -87.746
bonds (distance) P-C4' energy: -92.093
flat angles C4'-P-C4' energy: -117.499
flat angles P-C4'-P energy: -74.586
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: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1540.062665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.062665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.062665 (E_RNA)
where:
Base-Base interactions energy: -1075.560
where: short stacking energy: -457.628
Base-Backbone interact. energy: 1.065
local terms energy: -465.566878
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -81.941
flat angles C4'-P-C4' energy: -102.024
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -129.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1483.227083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.227083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.227083 (E_RNA)
where:
Base-Base interactions energy: -1009.851
where: short stacking energy: -426.144
Base-Backbone interact. energy: -3.416
local terms energy: -469.960096
where:
bonds (distance) C4'-P energy: -90.876
bonds (distance) P-C4' energy: -84.132
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -72.177
tors. eta vs tors. theta energy: -122.789
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1445.211536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.211536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.211536 (E_RNA)
where:
Base-Base interactions energy: -985.662
where: short stacking energy: -443.536
Base-Backbone interact. energy: -0.488
local terms energy: -459.061191
where:
bonds (distance) C4'-P energy: -86.095
bonds (distance) P-C4' energy: -83.257
flat angles C4'-P-C4' energy: -95.588
flat angles P-C4'-P energy: -72.605
tors. eta vs tors. theta energy: -121.516
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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1375.222261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.222261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.222261 (E_RNA)
where:
Base-Base interactions energy: -947.150
where: short stacking energy: -421.406
Base-Backbone interact. energy: -0.791
local terms energy: -427.281251
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -70.906
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -67.507
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: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1304.693546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.693546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.693546 (E_RNA)
where:
Base-Base interactions energy: -902.714
where: short stacking energy: -394.083
Base-Backbone interact. energy: 1.487
local terms energy: -403.467060
where:
bonds (distance) C4'-P energy: -74.271
bonds (distance) P-C4' energy: -79.022
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -53.436
tors. eta vs tors. theta energy: -102.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1259.058333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.058333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.058333 (E_RNA)
where:
Base-Base interactions energy: -887.501
where: short stacking energy: -377.636
Base-Backbone interact. energy: -3.111
local terms energy: -368.446478
where:
bonds (distance) C4'-P energy: -68.706
bonds (distance) P-C4' energy: -69.669
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -54.931
tors. eta vs tors. theta energy: -82.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1160.609022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.609022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.609022 (E_RNA)
where:
Base-Base interactions energy: -762.954
where: short stacking energy: -331.102
Base-Backbone interact. energy: -3.097
local terms energy: -394.557941
where:
bonds (distance) C4'-P energy: -75.849
bonds (distance) P-C4' energy: -85.386
flat angles C4'-P-C4' energy: -89.600
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -85.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -738.590366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.590366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.590366 (E_RNA)
where:
Base-Base interactions energy: -439.944
where: short stacking energy: -212.949
Base-Backbone interact. energy: -0.117
local terms energy: -298.529277
where:
bonds (distance) C4'-P energy: -84.138
bonds (distance) P-C4' energy: -73.882
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -30.035
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: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -501.439717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.439717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.439717 (E_RNA)
where:
Base-Base interactions energy: -231.471
where: short stacking energy: -160.126
Base-Backbone interact. energy: -1.904
local terms energy: -268.064558
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -79.010
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1702.403726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.403726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.403726 (E_RNA)
where:
Base-Base interactions energy: -1176.236
where: short stacking energy: -521.638
Base-Backbone interact. energy: -3.242
local terms energy: -522.925950
where:
bonds (distance) C4'-P energy: -90.314
bonds (distance) P-C4' energy: -97.838
flat angles C4'-P-C4' energy: -114.277
flat angles P-C4'-P energy: -72.680
tors. eta vs tors. theta energy: -147.817
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1544.091475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.091475 (E_RNA)
where:
Base-Base interactions energy: -1074.702
where: short stacking energy: -462.271
Base-Backbone interact. energy: 0.385
local terms energy: -469.774757
where:
bonds (distance) C4'-P energy: -85.550
bonds (distance) P-C4' energy: -82.315
flat angles C4'-P-C4' energy: -100.776
flat angles P-C4'-P energy: -63.042
tors. eta vs tors. theta energy: -138.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1488.857687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.857687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.857687 (E_RNA)
where:
Base-Base interactions energy: -1030.804
where: short stacking energy: -445.413
Base-Backbone interact. energy: -2.883
local terms energy: -455.170093
where:
bonds (distance) C4'-P energy: -95.563
bonds (distance) P-C4' energy: -88.420
flat angles C4'-P-C4' energy: -94.201
flat angles P-C4'-P energy: -64.202
tors. eta vs tors. theta energy: -112.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1475.841635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.841635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.841635 (E_RNA)
where:
Base-Base interactions energy: -997.748
where: short stacking energy: -456.915
Base-Backbone interact. energy: -2.408
local terms energy: -475.685611
where:
bonds (distance) C4'-P energy: -82.321
bonds (distance) P-C4' energy: -90.315
flat angles C4'-P-C4' energy: -97.142
flat angles P-C4'-P energy: -68.326
tors. eta vs tors. theta energy: -137.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1385.983743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.983743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.983743 (E_RNA)
where:
Base-Base interactions energy: -905.967
where: short stacking energy: -396.574
Base-Backbone interact. energy: -0.315
local terms energy: -479.701407
where:
bonds (distance) C4'-P energy: -92.119
bonds (distance) P-C4' energy: -103.978
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -120.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1319.066151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.066151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.066151 (E_RNA)
where:
Base-Base interactions energy: -908.966
where: short stacking energy: -408.273
Base-Backbone interact. energy: 2.866
local terms energy: -412.965869
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -80.946
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -55.736
tors. eta vs tors. theta energy: -114.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1304.019496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.019496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.019496 (E_RNA)
where:
Base-Base interactions energy: -923.199
where: short stacking energy: -371.457
Base-Backbone interact. energy: -2.201
local terms energy: -378.619321
where:
bonds (distance) C4'-P energy: -72.800
bonds (distance) P-C4' energy: -72.896
flat angles C4'-P-C4' energy: -91.243
flat angles P-C4'-P energy: -48.765
tors. eta vs tors. theta energy: -92.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1160.664160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.664160 (E_RNA)
where:
Base-Base interactions energy: -790.693
where: short stacking energy: -340.638
Base-Backbone interact. energy: 2.260
local terms energy: -372.231789
where:
bonds (distance) C4'-P energy: -84.569
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -82.109
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -91.935
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -734.992662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.992662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.992662 (E_RNA)
where:
Base-Base interactions energy: -452.630
where: short stacking energy: -216.406
Base-Backbone interact. energy: 0.015
local terms energy: -282.377547
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -74.754
flat angles C4'-P-C4' energy: -79.436
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -24.399
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: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -502.470705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.470705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.470705 (E_RNA)
where:
Base-Base interactions energy: -258.509
where: short stacking energy: -144.558
Base-Backbone interact. energy: 5.369
local terms energy: -249.330933
where:
bonds (distance) C4'-P energy: -72.639
bonds (distance) P-C4' energy: -84.635
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -2.688
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: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1695.970570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.970570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.970570 (E_RNA)
where:
Base-Base interactions energy: -1196.576
where: short stacking energy: -531.234
Base-Backbone interact. energy: -4.072
local terms energy: -495.322648
where:
bonds (distance) C4'-P energy: -76.894
bonds (distance) P-C4' energy: -85.430
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -80.664
tors. eta vs tors. theta energy: -147.779
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: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1577.750489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.750489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.750489 (E_RNA)
where:
Base-Base interactions energy: -1069.782
where: short stacking energy: -462.494
Base-Backbone interact. energy: -1.500
local terms energy: -506.468441
where:
bonds (distance) C4'-P energy: -94.559
bonds (distance) P-C4' energy: -87.514
flat angles C4'-P-C4' energy: -106.421
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -139.128
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1497.643201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.643201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.643201 (E_RNA)
where:
Base-Base interactions energy: -1028.844
where: short stacking energy: -452.238
Base-Backbone interact. energy: -2.935
local terms energy: -465.863897
where:
bonds (distance) C4'-P energy: -80.149
bonds (distance) P-C4' energy: -92.422
flat angles C4'-P-C4' energy: -103.411
flat angles P-C4'-P energy: -71.819
tors. eta vs tors. theta energy: -118.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1448.386679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.386679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.386679 (E_RNA)
where:
Base-Base interactions energy: -1003.942
where: short stacking energy: -435.571
Base-Backbone interact. energy: 3.784
local terms energy: -448.229188
where:
bonds (distance) C4'-P energy: -75.270
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -97.136
flat angles P-C4'-P energy: -65.351
tors. eta vs tors. theta energy: -124.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1393.059797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.059797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.059797 (E_RNA)
where:
Base-Base interactions energy: -940.320
where: short stacking energy: -421.152
Base-Backbone interact. energy: -2.952
local terms energy: -449.788545
where:
bonds (distance) C4'-P energy: -82.924
bonds (distance) P-C4' energy: -81.160
flat angles C4'-P-C4' energy: -101.340
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -117.938
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: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1355.357089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.357089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.357089 (E_RNA)
where:
Base-Base interactions energy: -938.567
where: short stacking energy: -405.031
Base-Backbone interact. energy: -3.729
local terms energy: -413.060232
where:
bonds (distance) C4'-P energy: -74.674
bonds (distance) P-C4' energy: -75.975
flat angles C4'-P-C4' energy: -92.941
flat angles P-C4'-P energy: -63.866
tors. eta vs tors. theta energy: -105.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1256.082910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.082910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.082910 (E_RNA)
where:
Base-Base interactions energy: -867.745
where: short stacking energy: -348.945
Base-Backbone interact. energy: -2.736
local terms energy: -385.602565
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -78.755
flat angles C4'-P-C4' energy: -90.687
flat angles P-C4'-P energy: -64.520
tors. eta vs tors. theta energy: -96.170
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1149.408283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.408283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.408283 (E_RNA)
where:
Base-Base interactions energy: -794.545
where: short stacking energy: -305.952
Base-Backbone interact. energy: 0.098
local terms energy: -354.961328
where:
bonds (distance) C4'-P energy: -73.096
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -56.668
tors. eta vs tors. theta energy: -70.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -749.130907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.130907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.130907 (E_RNA)
where:
Base-Base interactions energy: -453.342
where: short stacking energy: -245.220
Base-Backbone interact. energy: -0.173
local terms energy: -295.615574
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -70.258
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -30.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -544.740947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.740947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.740947 (E_RNA)
where:
Base-Base interactions energy: -266.009
where: short stacking energy: -161.106
Base-Backbone interact. energy: 1.091
local terms energy: -279.822729
where:
bonds (distance) C4'-P energy: -62.614
bonds (distance) P-C4' energy: -82.262
flat angles C4'-P-C4' energy: -71.145
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1687.884113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.884113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.884113 (E_RNA)
where:
Base-Base interactions energy: -1170.867
where: short stacking energy: -507.243
Base-Backbone interact. energy: -2.869
local terms energy: -514.147425
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -93.024
flat angles C4'-P-C4' energy: -113.866
flat angles P-C4'-P energy: -65.735
tors. eta vs tors. theta energy: -151.900
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: 480
Temperature: 0.950000
Total energy: -1587.296657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.296657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.296657 (E_RNA)
where:
Base-Base interactions energy: -1090.667
where: short stacking energy: -477.971
Base-Backbone interact. energy: -2.710
local terms energy: -493.919416
where:
bonds (distance) C4'-P energy: -100.838
bonds (distance) P-C4' energy: -90.459
flat angles C4'-P-C4' energy: -106.431
flat angles P-C4'-P energy: -65.702
tors. eta vs tors. theta energy: -130.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1501.464008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.464008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.464008 (E_RNA)
where:
Base-Base interactions energy: -1041.726
where: short stacking energy: -437.725
Base-Backbone interact. energy: -2.144
local terms energy: -457.593984
where:
bonds (distance) C4'-P energy: -86.027
bonds (distance) P-C4' energy: -84.866
flat angles C4'-P-C4' energy: -94.884
flat angles P-C4'-P energy: -60.768
tors. eta vs tors. theta energy: -131.049
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: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1458.874443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.874443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.874443 (E_RNA)
where:
Base-Base interactions energy: -1016.053
where: short stacking energy: -444.417
Base-Backbone interact. energy: -0.905
local terms energy: -441.916358
where:
bonds (distance) C4'-P energy: -73.735
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -100.723
flat angles P-C4'-P energy: -57.009
tors. eta vs tors. theta energy: -121.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1407.244916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.244916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.244916 (E_RNA)
where:
Base-Base interactions energy: -982.354
where: short stacking energy: -430.283
Base-Backbone interact. energy: -0.402
local terms energy: -424.489147
where:
bonds (distance) C4'-P energy: -70.689
bonds (distance) P-C4' energy: -84.843
flat angles C4'-P-C4' energy: -86.534
flat angles P-C4'-P energy: -57.422
tors. eta vs tors. theta energy: -125.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1346.023938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.023938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.023938 (E_RNA)
where:
Base-Base interactions energy: -950.824
where: short stacking energy: -411.480
Base-Backbone interact. energy: -2.176
local terms energy: -393.023886
where:
bonds (distance) C4'-P energy: -86.736
bonds (distance) P-C4' energy: -72.282
flat angles C4'-P-C4' energy: -89.558
flat angles P-C4'-P energy: -41.668
tors. eta vs tors. theta energy: -102.779
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: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1291.237204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.237204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.237204 (E_RNA)
where:
Base-Base interactions energy: -904.744
where: short stacking energy: -395.842
Base-Backbone interact. energy: -2.003
local terms energy: -384.490349
where:
bonds (distance) C4'-P energy: -70.311
bonds (distance) P-C4' energy: -72.912
flat angles C4'-P-C4' energy: -82.714
flat angles P-C4'-P energy: -43.936
tors. eta vs tors. theta energy: -114.617
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: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1151.664303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.664303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.664303 (E_RNA)
where:
Base-Base interactions energy: -777.734
where: short stacking energy: -349.513
Base-Backbone interact. energy: -0.007
local terms energy: -373.923869
where:
bonds (distance) C4'-P energy: -74.871
bonds (distance) P-C4' energy: -90.211
flat angles C4'-P-C4' energy: -79.936
flat angles P-C4'-P energy: -52.302
tors. eta vs tors. theta energy: -76.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -757.614275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.614275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.614275 (E_RNA)
where:
Base-Base interactions energy: -477.018
where: short stacking energy: -208.274
Base-Backbone interact. energy: -0.760
local terms energy: -279.835935
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -64.627
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: -16.046
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: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -511.713410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.713410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.713410 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -161.073
Base-Backbone interact. energy: -2.859
local terms energy: -256.938854
where:
bonds (distance) C4'-P energy: -52.734
bonds (distance) P-C4' energy: -78.671
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1679.369165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.369165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.369165 (E_RNA)
where:
Base-Base interactions energy: -1157.373
where: short stacking energy: -509.367
Base-Backbone interact. energy: -1.929
local terms energy: -520.067395
where:
bonds (distance) C4'-P energy: -87.576
bonds (distance) P-C4' energy: -93.733
flat angles C4'-P-C4' energy: -114.736
flat angles P-C4'-P energy: -78.785
tors. eta vs tors. theta energy: -145.237
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: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1575.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.028680 (E_RNA)
where:
Base-Base interactions energy: -1092.900
where: short stacking energy: -485.914
Base-Backbone interact. energy: 2.306
local terms energy: -484.435015
where:
bonds (distance) C4'-P energy: -85.763
bonds (distance) P-C4' energy: -92.252
flat angles C4'-P-C4' energy: -99.321
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -138.588
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1494.322278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.322278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.322278 (E_RNA)
where:
Base-Base interactions energy: -1033.257
where: short stacking energy: -447.414
Base-Backbone interact. energy: -0.190
local terms energy: -460.875663
where:
bonds (distance) C4'-P energy: -78.942
bonds (distance) P-C4' energy: -77.528
flat angles C4'-P-C4' energy: -99.139
flat angles P-C4'-P energy: -73.287
tors. eta vs tors. theta energy: -131.980
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: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1465.941946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.941946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.941946 (E_RNA)
where:
Base-Base interactions energy: -1006.267
where: short stacking energy: -438.812
Base-Backbone interact. energy: -0.259
local terms energy: -459.416762
where:
bonds (distance) C4'-P energy: -88.227
bonds (distance) P-C4' energy: -85.647
flat angles C4'-P-C4' energy: -100.271
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -119.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1444.346934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.346934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.346934 (E_RNA)
where:
Base-Base interactions energy: -1013.218
where: short stacking energy: -447.700
Base-Backbone interact. energy: -0.571
local terms energy: -430.557916
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -77.723
flat angles C4'-P-C4' energy: -99.798
flat angles P-C4'-P energy: -53.207
tors. eta vs tors. theta energy: -126.781
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: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1332.250429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.250429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.250429 (E_RNA)
where:
Base-Base interactions energy: -935.054
where: short stacking energy: -376.840
Base-Backbone interact. energy: -0.798
local terms energy: -396.398485
where:
bonds (distance) C4'-P energy: -91.792
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -81.559
flat angles P-C4'-P energy: -61.531
tors. eta vs tors. theta energy: -90.536
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1259.426386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.426386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.426386 (E_RNA)
where:
Base-Base interactions energy: -881.259
where: short stacking energy: -388.546
Base-Backbone interact. energy: -2.164
local terms energy: -376.002906
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -78.683
flat angles C4'-P-C4' energy: -91.359
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -110.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1147.630084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.630084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.630084 (E_RNA)
where:
Base-Base interactions energy: -786.116
where: short stacking energy: -343.443
Base-Backbone interact. energy: 2.979
local terms energy: -364.493098
where:
bonds (distance) C4'-P energy: -79.436
bonds (distance) P-C4' energy: -74.088
flat angles C4'-P-C4' energy: -87.813
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -77.241
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: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -764.124141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.124141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.124141 (E_RNA)
where:
Base-Base interactions energy: -499.965
where: short stacking energy: -234.187
Base-Backbone interact. energy: 0.276
local terms energy: -264.435815
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -49.958
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -55.695
tors. eta vs tors. theta energy: -39.474
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: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -529.181951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.181951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.181951 (E_RNA)
where:
Base-Base interactions energy: -279.572
where: short stacking energy: -171.153
Base-Backbone interact. energy: 3.187
local terms energy: -252.796246
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -79.069
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -8.230
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: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1699.745902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.745902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.745902 (E_RNA)
where:
Base-Base interactions energy: -1195.055
where: short stacking energy: -529.290
Base-Backbone interact. energy: -2.367
local terms energy: -502.324141
where:
bonds (distance) C4'-P energy: -87.121
bonds (distance) P-C4' energy: -92.637
flat angles C4'-P-C4' energy: -94.410
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -148.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1553.772488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.772488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.772488 (E_RNA)
where:
Base-Base interactions energy: -1087.896
where: short stacking energy: -483.053
Base-Backbone interact. energy: -2.130
local terms energy: -463.746959
where:
bonds (distance) C4'-P energy: -89.556
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -89.718
flat angles P-C4'-P energy: -71.500
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1495.317498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.317498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.317498 (E_RNA)
where:
Base-Base interactions energy: -1047.697
where: short stacking energy: -458.860
Base-Backbone interact. energy: -1.214
local terms energy: -446.407002
where:
bonds (distance) C4'-P energy: -78.225
bonds (distance) P-C4' energy: -85.224
flat angles C4'-P-C4' energy: -90.571
flat angles P-C4'-P energy: -63.346
tors. eta vs tors. theta energy: -129.042
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: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1428.136739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.136739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.136739 (E_RNA)
where:
Base-Base interactions energy: -970.656
where: short stacking energy: -433.823
Base-Backbone interact. energy: -3.815
local terms energy: -453.665327
where:
bonds (distance) C4'-P energy: -87.195
bonds (distance) P-C4' energy: -84.652
flat angles C4'-P-C4' energy: -98.300
flat angles P-C4'-P energy: -69.147
tors. eta vs tors. theta energy: -114.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1443.647981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.647981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.647981 (E_RNA)
where:
Base-Base interactions energy: -988.563
where: short stacking energy: -452.415
Base-Backbone interact. energy: -1.748
local terms energy: -453.337247
where:
bonds (distance) C4'-P energy: -79.720
bonds (distance) P-C4' energy: -84.984
flat angles C4'-P-C4' energy: -97.654
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -135.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1326.980474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.980474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.980474 (E_RNA)
where:
Base-Base interactions energy: -908.757
where: short stacking energy: -383.566
Base-Backbone interact. energy: -0.902
local terms energy: -417.321986
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -95.816
flat angles C4'-P-C4' energy: -96.260
flat angles P-C4'-P energy: -67.723
tors. eta vs tors. theta energy: -94.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1259.096320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.096320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.096320 (E_RNA)
where:
Base-Base interactions energy: -881.259
where: short stacking energy: -347.874
Base-Backbone interact. energy: 5.991
local terms energy: -383.828101
where:
bonds (distance) C4'-P energy: -78.511
bonds (distance) P-C4' energy: -84.061
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -63.697
tors. eta vs tors. theta energy: -86.772
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: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1164.533891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.533891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.533891 (E_RNA)
where:
Base-Base interactions energy: -795.199
where: short stacking energy: -353.374
Base-Backbone interact. energy: 0.429
local terms energy: -369.763960
where:
bonds (distance) C4'-P energy: -67.730
bonds (distance) P-C4' energy: -76.189
flat angles C4'-P-C4' energy: -82.805
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: -88.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -807.603998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.603998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.603998 (E_RNA)
where:
Base-Base interactions energy: -497.974
where: short stacking energy: -235.906
Base-Backbone interact. energy: -1.963
local terms energy: -307.666302
where:
bonds (distance) C4'-P energy: -72.973
bonds (distance) P-C4' energy: -67.637
flat angles C4'-P-C4' energy: -75.818
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -47.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -556.105378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.105378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.105378 (E_RNA)
where:
Base-Base interactions energy: -292.851
where: short stacking energy: -149.365
Base-Backbone interact. energy: -0.699
local terms energy: -262.555484
where:
bonds (distance) C4'-P energy: -72.374
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -36.161
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1695.802519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.802519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.802519 (E_RNA)
where:
Base-Base interactions energy: -1174.338
where: short stacking energy: -511.096
Base-Backbone interact. energy: -3.986
local terms energy: -517.478060
where:
bonds (distance) C4'-P energy: -87.470
bonds (distance) P-C4' energy: -92.920
flat angles C4'-P-C4' energy: -112.502
flat angles P-C4'-P energy: -70.463
tors. eta vs tors. theta energy: -154.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1534.416351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.416351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.416351 (E_RNA)
where:
Base-Base interactions energy: -1045.692
where: short stacking energy: -456.321
Base-Backbone interact. energy: 0.070
local terms energy: -488.793615
where:
bonds (distance) C4'-P energy: -87.661
bonds (distance) P-C4' energy: -91.813
flat angles C4'-P-C4' energy: -101.331
flat angles P-C4'-P energy: -71.744
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: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1499.298732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.298732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.298732 (E_RNA)
where:
Base-Base interactions energy: -1034.029
where: short stacking energy: -443.103
Base-Backbone interact. energy: -0.711
local terms energy: -464.558793
where:
bonds (distance) C4'-P energy: -90.357
bonds (distance) P-C4' energy: -83.893
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -69.983
tors. eta vs tors. theta energy: -127.954
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: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1500.949637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.949637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.949637 (E_RNA)
where:
Base-Base interactions energy: -1023.487
where: short stacking energy: -464.850
Base-Backbone interact. energy: -0.823
local terms energy: -476.639498
where:
bonds (distance) C4'-P energy: -90.300
bonds (distance) P-C4' energy: -87.327
flat angles C4'-P-C4' energy: -99.551
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -136.807
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: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1417.375052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.375052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.375052 (E_RNA)
where:
Base-Base interactions energy: -989.025
where: short stacking energy: -441.406
Base-Backbone interact. energy: 2.201
local terms energy: -430.551191
where:
bonds (distance) C4'-P energy: -81.700
bonds (distance) P-C4' energy: -86.199
flat angles C4'-P-C4' energy: -91.555
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -113.960
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: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1264.222779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.222779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.222779 (E_RNA)
where:
Base-Base interactions energy: -850.098
where: short stacking energy: -345.674
Base-Backbone interact. energy: 0.238
local terms energy: -414.362249
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -80.909
flat angles C4'-P-C4' energy: -95.317
flat angles P-C4'-P energy: -62.650
tors. eta vs tors. theta energy: -90.045
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: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1248.245470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.245470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.245470 (E_RNA)
where:
Base-Base interactions energy: -865.834
where: short stacking energy: -334.625
Base-Backbone interact. energy: -1.270
local terms energy: -381.141249
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -82.677
flat angles C4'-P-C4' energy: -89.296
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -84.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1181.632593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.632593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.632593 (E_RNA)
where:
Base-Base interactions energy: -795.951
where: short stacking energy: -367.496
Base-Backbone interact. energy: 4.382
local terms energy: -390.063759
where:
bonds (distance) C4'-P energy: -74.020
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -106.901
flat angles P-C4'-P energy: -58.086
tors. eta vs tors. theta energy: -90.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -840.378942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.378942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.378942 (E_RNA)
where:
Base-Base interactions energy: -523.122
where: short stacking energy: -258.418
Base-Backbone interact. energy: 0.171
local terms energy: -317.428300
where:
bonds (distance) C4'-P energy: -68.981
bonds (distance) P-C4' energy: -74.110
flat angles C4'-P-C4' energy: -71.193
flat angles P-C4'-P energy: -48.847
tors. eta vs tors. theta energy: -54.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -557.252495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.252495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.252495 (E_RNA)
where:
Base-Base interactions energy: -298.229
where: short stacking energy: -185.042
Base-Backbone interact. energy: -1.263
local terms energy: -257.760688
where:
bonds (distance) C4'-P energy: -59.693
bonds (distance) P-C4' energy: -83.250
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -50.037
tors. eta vs tors. theta energy: -3.206
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: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1701.147667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.147667 (E_RNA)
where:
Base-Base interactions energy: -1179.012
where: short stacking energy: -515.349
Base-Backbone interact. energy: -3.625
local terms energy: -518.510676
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -95.780
flat angles C4'-P-C4' energy: -98.932
flat angles P-C4'-P energy: -77.687
tors. eta vs tors. theta energy: -154.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1545.848318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.848318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.848318 (E_RNA)
where:
Base-Base interactions energy: -1043.885
where: short stacking energy: -451.304
Base-Backbone interact. energy: 0.326
local terms energy: -502.288682
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -91.568
flat angles C4'-P-C4' energy: -107.981
flat angles P-C4'-P energy: -62.554
tors. eta vs tors. theta energy: -138.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1523.305132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.305132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.305132 (E_RNA)
where:
Base-Base interactions energy: -1040.647
where: short stacking energy: -452.765
Base-Backbone interact. energy: -2.184
local terms energy: -480.474913
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -75.942
flat angles C4'-P-C4' energy: -99.277
flat angles P-C4'-P energy: -75.501
tors. eta vs tors. theta energy: -140.544
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: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1416.295683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.295683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.295683 (E_RNA)
where:
Base-Base interactions energy: -960.825
where: short stacking energy: -419.279
Base-Backbone interact. energy: 1.576
local terms energy: -457.046163
where:
bonds (distance) C4'-P energy: -86.469
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -70.746
tors. eta vs tors. theta energy: -117.639
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1396.000072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.000072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.000072 (E_RNA)
where:
Base-Base interactions energy: -962.890
where: short stacking energy: -422.469
Base-Backbone interact. energy: 1.047
local terms energy: -434.156376
where:
bonds (distance) C4'-P energy: -75.429
bonds (distance) P-C4' energy: -78.008
flat angles C4'-P-C4' energy: -99.635
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -117.104
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: 484
Temperature: 1.150000
Total energy: -1284.967078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.967078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.967078 (E_RNA)
where:
Base-Base interactions energy: -865.083
where: short stacking energy: -393.215
Base-Backbone interact. energy: -2.270
local terms energy: -417.614410
where:
bonds (distance) C4'-P energy: -71.360
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -60.586
tors. eta vs tors. theta energy: -102.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1191.389036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.389036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.389036 (E_RNA)
where:
Base-Base interactions energy: -815.184
where: short stacking energy: -339.163
Base-Backbone interact. energy: -2.056
local terms energy: -374.148387
where:
bonds (distance) C4'-P energy: -73.242
bonds (distance) P-C4' energy: -67.676
flat angles C4'-P-C4' energy: -102.268
flat angles P-C4'-P energy: -56.874
tors. eta vs tors. theta energy: -74.088
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: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1149.613584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.613584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.613584 (E_RNA)
where:
Base-Base interactions energy: -772.950
where: short stacking energy: -344.670
Base-Backbone interact. energy: -1.192
local terms energy: -375.471346
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -78.440
flat angles C4'-P-C4' energy: -74.355
flat angles P-C4'-P energy: -58.802
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: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -775.187262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.187262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.187262 (E_RNA)
where:
Base-Base interactions energy: -490.127
where: short stacking energy: -216.393
Base-Backbone interact. energy: -2.591
local terms energy: -282.469835
where:
bonds (distance) C4'-P energy: -61.894
bonds (distance) P-C4' energy: -71.298
flat angles C4'-P-C4' energy: -75.512
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -32.168
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: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -524.613978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.613978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.613978 (E_RNA)
where:
Base-Base interactions energy: -270.983
where: short stacking energy: -164.096
Base-Backbone interact. energy: 0.773
local terms energy: -254.404037
where:
bonds (distance) C4'-P energy: -68.713
bonds (distance) P-C4' energy: -84.767
flat angles C4'-P-C4' energy: -65.319
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1691.525589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.525589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.525589 (E_RNA)
where:
Base-Base interactions energy: -1198.576
where: short stacking energy: -534.207
Base-Backbone interact. energy: -2.760
local terms energy: -490.189082
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -83.208
flat angles C4'-P-C4' energy: -107.898
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -147.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1561.169574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.169574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.169574 (E_RNA)
where:
Base-Base interactions energy: -1059.640
where: short stacking energy: -458.792
Base-Backbone interact. energy: -0.115
local terms energy: -501.414297
where:
bonds (distance) C4'-P energy: -100.737
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -97.925
flat angles P-C4'-P energy: -63.905
tors. eta vs tors. theta energy: -140.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1562.879525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.879525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.879525 (E_RNA)
where:
Base-Base interactions energy: -1084.849
where: short stacking energy: -461.137
Base-Backbone interact. energy: -2.837
local terms energy: -475.193448
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -76.075
flat angles C4'-P-C4' energy: -98.891
flat angles P-C4'-P energy: -63.698
tors. eta vs tors. theta energy: -141.401
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: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1364.086692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.086692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.086692 (E_RNA)
where:
Base-Base interactions energy: -909.137
where: short stacking energy: -428.234
Base-Backbone interact. energy: -1.118
local terms energy: -453.831387
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -94.033
flat angles C4'-P-C4' energy: -95.407
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -121.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1375.695574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.695574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.695574 (E_RNA)
where:
Base-Base interactions energy: -969.470
where: short stacking energy: -408.230
Base-Backbone interact. energy: -3.917
local terms energy: -402.308699
where:
bonds (distance) C4'-P energy: -81.759
bonds (distance) P-C4' energy: -81.139
flat angles C4'-P-C4' energy: -85.897
flat angles P-C4'-P energy: -55.321
tors. eta vs tors. theta energy: -98.194
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: 485
Temperature: 1.150000
Total energy: -1340.204463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.204463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.204463 (E_RNA)
where:
Base-Base interactions energy: -895.053
where: short stacking energy: -419.579
Base-Backbone interact. energy: -0.400
local terms energy: -444.751867
where:
bonds (distance) C4'-P energy: -80.975
bonds (distance) P-C4' energy: -89.626
flat angles C4'-P-C4' energy: -108.234
flat angles P-C4'-P energy: -50.676
tors. eta vs tors. theta energy: -115.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1173.586980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.586980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.586980 (E_RNA)
where:
Base-Base interactions energy: -819.952
where: short stacking energy: -343.687
Base-Backbone interact. energy: -0.123
local terms energy: -353.512041
where:
bonds (distance) C4'-P energy: -76.347
bonds (distance) P-C4' energy: -74.728
flat angles C4'-P-C4' energy: -70.444
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -74.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1168.714285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.714285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.714285 (E_RNA)
where:
Base-Base interactions energy: -796.207
where: short stacking energy: -340.601
Base-Backbone interact. energy: 1.766
local terms energy: -374.273660
where:
bonds (distance) C4'-P energy: -69.996
bonds (distance) P-C4' energy: -82.419
flat angles C4'-P-C4' energy: -82.241
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -79.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -850.078171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.078171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.078171 (E_RNA)
where:
Base-Base interactions energy: -553.233
where: short stacking energy: -251.745
Base-Backbone interact. energy: 1.846
local terms energy: -298.691871
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -80.492
flat angles C4'-P-C4' energy: -68.730
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -45.417
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: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -503.084962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.084962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.084962 (E_RNA)
where:
Base-Base interactions energy: -248.952
where: short stacking energy: -156.866
Base-Backbone interact. energy: 2.776
local terms energy: -256.908872
where:
bonds (distance) C4'-P energy: -79.240
bonds (distance) P-C4' energy: -82.528
flat angles C4'-P-C4' energy: -62.048
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -3.725
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: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1596.453497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.453497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.453497 (E_RNA)
where:
Base-Base interactions energy: -1090.938
where: short stacking energy: -467.402
Base-Backbone interact. energy: -1.363
local terms energy: -504.152643
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -89.626
flat angles C4'-P-C4' energy: -105.619
flat angles P-C4'-P energy: -77.527
tors. eta vs tors. theta energy: -144.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1657.626882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.626882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.626882 (E_RNA)
where:
Base-Base interactions energy: -1167.340
where: short stacking energy: -534.752
Base-Backbone interact. energy: -2.907
local terms energy: -487.379770
where:
bonds (distance) C4'-P energy: -72.514
bonds (distance) P-C4' energy: -82.757
flat angles C4'-P-C4' energy: -107.723
flat angles P-C4'-P energy: -69.443
tors. eta vs tors. theta energy: -154.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1543.897764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.897764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.897764 (E_RNA)
where:
Base-Base interactions energy: -1071.122
where: short stacking energy: -457.470
Base-Backbone interact. energy: -1.993
local terms energy: -470.783198
where:
bonds (distance) C4'-P energy: -72.384
bonds (distance) P-C4' energy: -87.898
flat angles C4'-P-C4' energy: -110.127
flat angles P-C4'-P energy: -69.713
tors. eta vs tors. theta energy: -130.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1362.648411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.648411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.648411 (E_RNA)
where:
Base-Base interactions energy: -905.756
where: short stacking energy: -408.885
Base-Backbone interact. energy: -1.789
local terms energy: -455.103245
where:
bonds (distance) C4'-P energy: -92.810
bonds (distance) P-C4' energy: -85.117
flat angles C4'-P-C4' energy: -83.969
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -126.592
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: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1383.747852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.747852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.747852 (E_RNA)
where:
Base-Base interactions energy: -951.615
where: short stacking energy: -406.159
Base-Backbone interact. energy: -2.601
local terms energy: -429.532192
where:
bonds (distance) C4'-P energy: -85.470
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -91.383
flat angles P-C4'-P energy: -59.314
tors. eta vs tors. theta energy: -112.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1269.890852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.890852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.890852 (E_RNA)
where:
Base-Base interactions energy: -857.391
where: short stacking energy: -363.726
Base-Backbone interact. energy: -2.356
local terms energy: -410.143649
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -83.774
flat angles C4'-P-C4' energy: -83.812
flat angles P-C4'-P energy: -66.816
tors. eta vs tors. theta energy: -91.203
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: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1205.187530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.187530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.187530 (E_RNA)
where:
Base-Base interactions energy: -827.066
where: short stacking energy: -369.776
Base-Backbone interact. energy: -2.088
local terms energy: -376.034038
where:
bonds (distance) C4'-P energy: -79.745
bonds (distance) P-C4' energy: -69.855
flat angles C4'-P-C4' energy: -87.893
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -82.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1133.634130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.634130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.634130 (E_RNA)
where:
Base-Base interactions energy: -765.323
where: short stacking energy: -326.474
Base-Backbone interact. energy: -0.885
local terms energy: -367.425814
where:
bonds (distance) C4'-P energy: -73.063
bonds (distance) P-C4' energy: -79.647
flat angles C4'-P-C4' energy: -80.763
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -83.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -870.703251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.703251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.703251 (E_RNA)
where:
Base-Base interactions energy: -571.159
where: short stacking energy: -259.016
Base-Backbone interact. energy: -2.352
local terms energy: -297.192096
where:
bonds (distance) C4'-P energy: -66.370
bonds (distance) P-C4' energy: -76.209
flat angles C4'-P-C4' energy: -59.321
flat angles P-C4'-P energy: -52.758
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -490.469577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.469577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.469577 (E_RNA)
where:
Base-Base interactions energy: -226.906
where: short stacking energy: -146.441
Base-Backbone interact. energy: -1.025
local terms energy: -262.538396
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -83.807
flat angles C4'-P-C4' energy: -63.476
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -7.284
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: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1598.433584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.433584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.433584 (E_RNA)
where:
Base-Base interactions energy: -1109.775
where: short stacking energy: -475.931
Base-Backbone interact. energy: -1.740
local terms energy: -486.917950
where:
bonds (distance) C4'-P energy: -81.095
bonds (distance) P-C4' energy: -91.466
flat angles C4'-P-C4' energy: -101.227
flat angles P-C4'-P energy: -70.592
tors. eta vs tors. theta energy: -142.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1662.928539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.928539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.928539 (E_RNA)
where:
Base-Base interactions energy: -1154.893
where: short stacking energy: -513.150
Base-Backbone interact. energy: -1.743
local terms energy: -506.292508
where:
bonds (distance) C4'-P energy: -95.680
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -109.915
flat angles P-C4'-P energy: -75.994
tors. eta vs tors. theta energy: -145.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1531.905878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.905878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.905878 (E_RNA)
where:
Base-Base interactions energy: -1059.011
where: short stacking energy: -448.272
Base-Backbone interact. energy: -1.999
local terms energy: -470.895737
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -92.150
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: -125.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1464.558238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.558238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.558238 (E_RNA)
where:
Base-Base interactions energy: -1009.919
where: short stacking energy: -427.571
Base-Backbone interact. energy: -2.853
local terms energy: -451.786352
where:
bonds (distance) C4'-P energy: -92.913
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -89.848
flat angles P-C4'-P energy: -59.800
tors. eta vs tors. theta energy: -112.820
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: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1368.699974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.699974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.699974 (E_RNA)
where:
Base-Base interactions energy: -917.523
where: short stacking energy: -432.902
Base-Backbone interact. energy: 3.387
local terms energy: -454.564139
where:
bonds (distance) C4'-P energy: -86.162
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -98.248
flat angles P-C4'-P energy: -69.990
tors. eta vs tors. theta energy: -122.873
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: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1315.612351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.612351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.612351 (E_RNA)
where:
Base-Base interactions energy: -882.410
where: short stacking energy: -408.583
Base-Backbone interact. energy: -1.755
local terms energy: -431.447123
where:
bonds (distance) C4'-P energy: -85.673
bonds (distance) P-C4' energy: -72.559
flat angles C4'-P-C4' energy: -93.525
flat angles P-C4'-P energy: -62.568
tors. eta vs tors. theta energy: -117.122
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1230.471941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.471941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.471941 (E_RNA)
where:
Base-Base interactions energy: -843.388
where: short stacking energy: -355.160
Base-Backbone interact. energy: -2.437
local terms energy: -384.646095
where:
bonds (distance) C4'-P energy: -82.947
bonds (distance) P-C4' energy: -73.082
flat angles C4'-P-C4' energy: -85.953
flat angles P-C4'-P energy: -59.003
tors. eta vs tors. theta energy: -83.660
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: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1123.694641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.694641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.694641 (E_RNA)
where:
Base-Base interactions energy: -757.185
where: short stacking energy: -322.940
Base-Backbone interact. energy: -0.297
local terms energy: -366.212444
where:
bonds (distance) C4'-P energy: -77.401
bonds (distance) P-C4' energy: -76.536
flat angles C4'-P-C4' energy: -85.056
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -81.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -867.479286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.479286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.479286 (E_RNA)
where:
Base-Base interactions energy: -535.316
where: short stacking energy: -240.048
Base-Backbone interact. energy: -2.029
local terms energy: -330.133967
where:
bonds (distance) C4'-P energy: -69.057
bonds (distance) P-C4' energy: -85.173
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -49.274
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: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -565.176118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.176118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.176118 (E_RNA)
where:
Base-Base interactions energy: -300.924
where: short stacking energy: -153.690
Base-Backbone interact. energy: -1.673
local terms energy: -262.578364
where:
bonds (distance) C4'-P energy: -63.643
bonds (distance) P-C4' energy: -85.828
flat angles C4'-P-C4' energy: -68.236
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1672.393091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.393091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.393091 (E_RNA)
where:
Base-Base interactions energy: -1164.534
where: short stacking energy: -522.017
Base-Backbone interact. energy: -2.896
local terms energy: -504.963029
where:
bonds (distance) C4'-P energy: -82.259
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -71.124
tors. eta vs tors. theta energy: -156.108
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: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1588.726138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.726138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.726138 (E_RNA)
where:
Base-Base interactions energy: -1101.498
where: short stacking energy: -486.602
Base-Backbone interact. energy: -1.756
local terms energy: -485.472216
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -110.135
flat angles P-C4'-P energy: -61.917
tors. eta vs tors. theta energy: -147.286
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: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1507.688375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.688375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.688375 (E_RNA)
where:
Base-Base interactions energy: -1056.167
where: short stacking energy: -454.212
Base-Backbone interact. energy: -2.778
local terms energy: -448.743887
where:
bonds (distance) C4'-P energy: -77.300
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -99.125
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: -124.770
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: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1499.328930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.328930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.328930 (E_RNA)
where:
Base-Base interactions energy: -1029.719
where: short stacking energy: -454.820
Base-Backbone interact. energy: -0.372
local terms energy: -469.238319
where:
bonds (distance) C4'-P energy: -86.821
bonds (distance) P-C4' energy: -90.755
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -64.333
tors. eta vs tors. theta energy: -123.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1320.042379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.042379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.042379 (E_RNA)
where:
Base-Base interactions energy: -900.779
where: short stacking energy: -403.906
Base-Backbone interact. energy: -1.365
local terms energy: -417.897742
where:
bonds (distance) C4'-P energy: -81.644
bonds (distance) P-C4' energy: -81.165
flat angles C4'-P-C4' energy: -89.978
flat angles P-C4'-P energy: -59.803
tors. eta vs tors. theta energy: -105.308
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: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1276.429138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.429138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.429138 (E_RNA)
where:
Base-Base interactions energy: -874.542
where: short stacking energy: -399.579
Base-Backbone interact. energy: 1.832
local terms energy: -403.719282
where:
bonds (distance) C4'-P energy: -69.245
bonds (distance) P-C4' energy: -91.940
flat angles C4'-P-C4' energy: -80.323
flat angles P-C4'-P energy: -50.747
tors. eta vs tors. theta energy: -111.464
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: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1256.267005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.267005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.267005 (E_RNA)
where:
Base-Base interactions energy: -872.343
where: short stacking energy: -391.637
Base-Backbone interact. energy: 3.010
local terms energy: -386.933941
where:
bonds (distance) C4'-P energy: -61.610
bonds (distance) P-C4' energy: -85.028
flat angles C4'-P-C4' energy: -89.483
flat angles P-C4'-P energy: -54.829
tors. eta vs tors. theta energy: -95.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1143.670851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.670851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.670851 (E_RNA)
where:
Base-Base interactions energy: -777.136
where: short stacking energy: -361.161
Base-Backbone interact. energy: -1.309
local terms energy: -365.225779
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -86.641
flat angles C4'-P-C4' energy: -90.770
flat angles P-C4'-P energy: -51.933
tors. eta vs tors. theta energy: -84.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -850.606391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.606391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.606391 (E_RNA)
where:
Base-Base interactions energy: -530.422
where: short stacking energy: -268.784
Base-Backbone interact. energy: -2.350
local terms energy: -317.835004
where:
bonds (distance) C4'-P energy: -67.443
bonds (distance) P-C4' energy: -71.758
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: -64.575
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: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -476.987529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.987529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.987529 (E_RNA)
where:
Base-Base interactions energy: -216.165
where: short stacking energy: -119.166
Base-Backbone interact. energy: 0.634
local terms energy: -261.456239
where:
bonds (distance) C4'-P energy: -81.607
bonds (distance) P-C4' energy: -92.945
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: 5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1677.602343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.602343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.602343 (E_RNA)
where:
Base-Base interactions energy: -1156.465
where: short stacking energy: -520.772
Base-Backbone interact. energy: -3.062
local terms energy: -518.074929
where:
bonds (distance) C4'-P energy: -92.585
bonds (distance) P-C4' energy: -90.821
flat angles C4'-P-C4' energy: -111.431
flat angles P-C4'-P energy: -74.298
tors. eta vs tors. theta energy: -148.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1583.900731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.900731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.900731 (E_RNA)
where:
Base-Base interactions energy: -1091.619
where: short stacking energy: -495.853
Base-Backbone interact. energy: 0.278
local terms energy: -492.559735
where:
bonds (distance) C4'-P energy: -82.987
bonds (distance) P-C4' energy: -86.089
flat angles C4'-P-C4' energy: -112.847
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -142.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1499.445046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.445046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.445046 (E_RNA)
where:
Base-Base interactions energy: -1053.393
where: short stacking energy: -465.109
Base-Backbone interact. energy: -4.216
local terms energy: -441.835715
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -78.136
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -63.799
tors. eta vs tors. theta energy: -133.882
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1486.594854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.594854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.594854 (E_RNA)
where:
Base-Base interactions energy: -1030.692
where: short stacking energy: -441.615
Base-Backbone interact. energy: -0.731
local terms energy: -455.171153
where:
bonds (distance) C4'-P energy: -92.712
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -58.627
tors. eta vs tors. theta energy: -121.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1389.104769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.104769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.104769 (E_RNA)
where:
Base-Base interactions energy: -934.220
where: short stacking energy: -413.206
Base-Backbone interact. energy: -1.669
local terms energy: -453.216325
where:
bonds (distance) C4'-P energy: -81.691
bonds (distance) P-C4' energy: -95.026
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -119.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1289.941328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.941328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.941328 (E_RNA)
where:
Base-Base interactions energy: -869.937
where: short stacking energy: -392.760
Base-Backbone interact. energy: -0.390
local terms energy: -419.614634
where:
bonds (distance) C4'-P energy: -88.387
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -88.610
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -110.454
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: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1234.065259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.065259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.065259 (E_RNA)
where:
Base-Base interactions energy: -846.361
where: short stacking energy: -369.266
Base-Backbone interact. energy: -0.505
local terms energy: -387.199950
where:
bonds (distance) C4'-P energy: -71.407
bonds (distance) P-C4' energy: -78.092
flat angles C4'-P-C4' energy: -85.976
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -88.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1148.942872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.942872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.942872 (E_RNA)
where:
Base-Base interactions energy: -753.782
where: short stacking energy: -328.100
Base-Backbone interact. energy: -1.189
local terms energy: -393.972011
where:
bonds (distance) C4'-P energy: -87.830
bonds (distance) P-C4' energy: -80.226
flat angles C4'-P-C4' energy: -80.016
flat angles P-C4'-P energy: -58.151
tors. eta vs tors. theta energy: -87.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -817.394005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.394005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.394005 (E_RNA)
where:
Base-Base interactions energy: -515.795
where: short stacking energy: -244.808
Base-Backbone interact. energy: 3.722
local terms energy: -305.320785
where:
bonds (distance) C4'-P energy: -75.916
bonds (distance) P-C4' energy: -75.053
flat angles C4'-P-C4' energy: -77.581
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -39.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -515.195018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.195018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.195018 (E_RNA)
where:
Base-Base interactions energy: -274.057
where: short stacking energy: -157.912
Base-Backbone interact. energy: 1.547
local terms energy: -242.684742
where:
bonds (distance) C4'-P energy: -87.080
bonds (distance) P-C4' energy: -79.219
flat angles C4'-P-C4' energy: -57.461
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1676.976312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.976312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.976312 (E_RNA)
where:
Base-Base interactions energy: -1183.937
where: short stacking energy: -509.537
Base-Backbone interact. energy: 1.102
local terms energy: -494.141278
where:
bonds (distance) C4'-P energy: -81.679
bonds (distance) P-C4' energy: -98.280
flat angles C4'-P-C4' energy: -102.654
flat angles P-C4'-P energy: -69.020
tors. eta vs tors. theta energy: -142.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1562.149980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.149980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.149980 (E_RNA)
where:
Base-Base interactions energy: -1097.666
where: short stacking energy: -476.287
Base-Backbone interact. energy: 0.723
local terms energy: -465.207601
where:
bonds (distance) C4'-P energy: -96.453
bonds (distance) P-C4' energy: -75.961
flat angles C4'-P-C4' energy: -93.627
flat angles P-C4'-P energy: -64.448
tors. eta vs tors. theta energy: -134.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1504.390610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.390610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.390610 (E_RNA)
where:
Base-Base interactions energy: -1039.223
where: short stacking energy: -453.751
Base-Backbone interact. energy: -4.382
local terms energy: -460.784965
where:
bonds (distance) C4'-P energy: -72.348
bonds (distance) P-C4' energy: -90.923
flat angles C4'-P-C4' energy: -100.043
flat angles P-C4'-P energy: -72.473
tors. eta vs tors. theta energy: -124.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1491.774193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.774193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.774193 (E_RNA)
where:
Base-Base interactions energy: -1044.450
where: short stacking energy: -454.579
Base-Backbone interact. energy: -1.243
local terms energy: -446.081302
where:
bonds (distance) C4'-P energy: -73.824
bonds (distance) P-C4' energy: -85.059
flat angles C4'-P-C4' energy: -103.766
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -112.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1334.955591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.955591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.955591 (E_RNA)
where:
Base-Base interactions energy: -909.000
where: short stacking energy: -378.159
Base-Backbone interact. energy: -1.230
local terms energy: -424.725832
where:
bonds (distance) C4'-P energy: -79.072
bonds (distance) P-C4' energy: -88.054
flat angles C4'-P-C4' energy: -86.483
flat angles P-C4'-P energy: -62.951
tors. eta vs tors. theta energy: -108.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1323.070740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.070740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.070740 (E_RNA)
where:
Base-Base interactions energy: -908.371
where: short stacking energy: -402.268
Base-Backbone interact. energy: -1.611
local terms energy: -413.088853
where:
bonds (distance) C4'-P energy: -77.819
bonds (distance) P-C4' energy: -73.367
flat angles C4'-P-C4' energy: -97.268
flat angles P-C4'-P energy: -56.944
tors. eta vs tors. theta energy: -107.691
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: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1219.607672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.607672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.607672 (E_RNA)
where:
Base-Base interactions energy: -835.505
where: short stacking energy: -344.136
Base-Backbone interact. energy: 0.164
local terms energy: -384.266858
where:
bonds (distance) C4'-P energy: -79.213
bonds (distance) P-C4' energy: -77.819
flat angles C4'-P-C4' energy: -88.235
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -85.676
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: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1135.260455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.260455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.260455 (E_RNA)
where:
Base-Base interactions energy: -750.347
where: short stacking energy: -330.070
Base-Backbone interact. energy: -1.920
local terms energy: -382.993264
where:
bonds (distance) C4'-P energy: -80.063
bonds (distance) P-C4' energy: -78.334
flat angles C4'-P-C4' energy: -89.906
flat angles P-C4'-P energy: -58.177
tors. eta vs tors. theta energy: -76.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -815.000432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.000432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.000432 (E_RNA)
where:
Base-Base interactions energy: -528.096
where: short stacking energy: -263.693
Base-Backbone interact. energy: -0.002
local terms energy: -286.902524
where:
bonds (distance) C4'-P energy: -66.394
bonds (distance) P-C4' energy: -83.271
flat angles C4'-P-C4' energy: -71.291
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -41.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -514.324190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.324190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.324190 (E_RNA)
where:
Base-Base interactions energy: -254.663
where: short stacking energy: -145.069
Base-Backbone interact. energy: -1.454
local terms energy: -258.206641
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -80.231
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -44.872
tors. eta vs tors. theta energy: -6.089
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: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1694.701985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.701985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.701985 (E_RNA)
where:
Base-Base interactions energy: -1191.579
where: short stacking energy: -534.486
Base-Backbone interact. energy: -2.733
local terms energy: -500.390743
where:
bonds (distance) C4'-P energy: -86.420
bonds (distance) P-C4' energy: -87.611
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -77.522
tors. eta vs tors. theta energy: -148.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1548.773976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.773976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.773976 (E_RNA)
where:
Base-Base interactions energy: -1072.031
where: short stacking energy: -488.890
Base-Backbone interact. energy: -3.946
local terms energy: -472.796970
where:
bonds (distance) C4'-P energy: -77.105
bonds (distance) P-C4' energy: -93.289
flat angles C4'-P-C4' energy: -93.987
flat angles P-C4'-P energy: -69.606
tors. eta vs tors. theta energy: -138.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1497.242669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.242669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.242669 (E_RNA)
where:
Base-Base interactions energy: -1009.334
where: short stacking energy: -445.463
Base-Backbone interact. energy: -3.524
local terms energy: -484.384424
where:
bonds (distance) C4'-P energy: -94.760
bonds (distance) P-C4' energy: -88.163
flat angles C4'-P-C4' energy: -98.398
flat angles P-C4'-P energy: -73.695
tors. eta vs tors. theta energy: -129.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1477.735202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.735202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.735202 (E_RNA)
where:
Base-Base interactions energy: -1026.951
where: short stacking energy: -424.091
Base-Backbone interact. energy: -1.383
local terms energy: -449.400648
where:
bonds (distance) C4'-P energy: -88.188
bonds (distance) P-C4' energy: -84.053
flat angles C4'-P-C4' energy: -89.482
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -113.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1335.574361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.574361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.574361 (E_RNA)
where:
Base-Base interactions energy: -907.904
where: short stacking energy: -429.836
Base-Backbone interact. energy: -1.303
local terms energy: -426.367447
where:
bonds (distance) C4'-P energy: -69.223
bonds (distance) P-C4' energy: -80.722
flat angles C4'-P-C4' energy: -96.425
flat angles P-C4'-P energy: -56.397
tors. eta vs tors. theta energy: -123.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1274.484796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.484796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.484796 (E_RNA)
where:
Base-Base interactions energy: -884.672
where: short stacking energy: -384.504
Base-Backbone interact. energy: -0.234
local terms energy: -389.579353
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -76.929
flat angles C4'-P-C4' energy: -86.612
flat angles P-C4'-P energy: -53.122
tors. eta vs tors. theta energy: -95.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1273.643788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.643788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.643788 (E_RNA)
where:
Base-Base interactions energy: -854.041
where: short stacking energy: -391.833
Base-Backbone interact. energy: -0.173
local terms energy: -419.429410
where:
bonds (distance) C4'-P energy: -84.988
bonds (distance) P-C4' energy: -76.371
flat angles C4'-P-C4' energy: -85.200
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -99.772
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: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1134.878647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.878647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.878647 (E_RNA)
where:
Base-Base interactions energy: -755.175
where: short stacking energy: -339.134
Base-Backbone interact. energy: 0.265
local terms energy: -379.968228
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -69.741
flat angles C4'-P-C4' energy: -89.184
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -84.026
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: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -772.534299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.534299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.534299 (E_RNA)
where:
Base-Base interactions energy: -473.320
where: short stacking energy: -230.166
Base-Backbone interact. energy: -3.443
local terms energy: -295.771210
where:
bonds (distance) C4'-P energy: -67.783
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -72.901
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -655.091475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.091475 (E_RNA)
where:
Base-Base interactions energy: -360.810
where: short stacking energy: -202.654
Base-Backbone interact. energy: -2.044
local terms energy: -292.237515
where:
bonds (distance) C4'-P energy: -88.389
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -19.784
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)
out arg RESULTS//1/sks1-73fd1f8e_01
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1694.141580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.141580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.141580 (E_RNA)
where:
Base-Base interactions energy: -1181.804
where: short stacking energy: -529.213
Base-Backbone interact. energy: -3.580
local terms energy: -508.758359
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -85.035
flat angles C4'-P-C4' energy: -105.498
flat angles P-C4'-P energy: -71.267
tors. eta vs tors. theta energy: -151.775
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: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1538.232298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.232298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.232298 (E_RNA)
where:
Base-Base interactions energy: -1049.706
where: short stacking energy: -474.883
Base-Backbone interact. energy: -1.479
local terms energy: -487.046824
where:
bonds (distance) C4'-P energy: -85.030
bonds (distance) P-C4' energy: -93.365
flat angles C4'-P-C4' energy: -107.530
flat angles P-C4'-P energy: -58.350
tors. eta vs tors. theta energy: -142.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1512.025410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.025410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.025410 (E_RNA)
where:
Base-Base interactions energy: -1063.962
where: short stacking energy: -441.532
Base-Backbone interact. energy: -3.606
local terms energy: -444.456895
where:
bonds (distance) C4'-P energy: -77.882
bonds (distance) P-C4' energy: -88.449
flat angles C4'-P-C4' energy: -102.921
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -115.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1426.272235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.272235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.272235 (E_RNA)
where:
Base-Base interactions energy: -956.976
where: short stacking energy: -434.953
Base-Backbone interact. energy: -1.131
local terms energy: -468.165233
where:
bonds (distance) C4'-P energy: -83.092
bonds (distance) P-C4' energy: -101.293
flat angles C4'-P-C4' energy: -99.625
flat angles P-C4'-P energy: -61.697
tors. eta vs tors. theta energy: -122.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1345.858833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.858833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.858833 (E_RNA)
where:
Base-Base interactions energy: -917.574
where: short stacking energy: -434.386
Base-Backbone interact. energy: 0.046
local terms energy: -428.331321
where:
bonds (distance) C4'-P energy: -72.613
bonds (distance) P-C4' energy: -76.408
flat angles C4'-P-C4' energy: -95.643
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -121.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1259.614571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.614571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.614571 (E_RNA)
where:
Base-Base interactions energy: -881.123
where: short stacking energy: -358.106
Base-Backbone interact. energy: -2.623
local terms energy: -375.869082
where:
bonds (distance) C4'-P energy: -75.284
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -62.669
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: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1240.521748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.521748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.521748 (E_RNA)
where:
Base-Base interactions energy: -840.979
where: short stacking energy: -365.831
Base-Backbone interact. energy: 0.335
local terms energy: -399.877364
where:
bonds (distance) C4'-P energy: -80.719
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -81.799
flat angles P-C4'-P energy: -56.587
tors. eta vs tors. theta energy: -104.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1092.015836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.015836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.015836 (E_RNA)
where:
Base-Base interactions energy: -743.984
where: short stacking energy: -325.922
Base-Backbone interact. energy: 1.258
local terms energy: -349.289389
where:
bonds (distance) C4'-P energy: -78.306
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -70.714
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -72.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -797.933641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.933641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.933641 (E_RNA)
where:
Base-Base interactions energy: -500.642
where: short stacking energy: -237.788
Base-Backbone interact. energy: -0.106
local terms energy: -297.185445
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -84.758
flat angles C4'-P-C4' energy: -69.681
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -34.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -586.959147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.959147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.959147 (E_RNA)
where:
Base-Base interactions energy: -315.536
where: short stacking energy: -170.580
Base-Backbone interact. energy: -1.115
local terms energy: -270.308194
where:
bonds (distance) C4'-P energy: -74.221
bonds (distance) P-C4' energy: -71.154
flat angles C4'-P-C4' energy: -75.626
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -11.839
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)